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(Q81976451)
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English
Hex-3-en-1-yl benzoate
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
204.115029752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆O₂
0 references
canonical SMILES
O=C(OCCC=CCC)C=1C=CC=CC1
0 references
found in taxon
Nepeta cataria
1 reference
stated in
Catnip (Nepeta cataria L.) Essential Oil: Analysis of Chemical Constituents, Bacteriostatic and Fungistatic Properties
Quercus agrifolia
1 reference
stated in
Volatile components of california live oak, quercus agrifolia
Vaccinium vitis-idaea
2 references
stated in
The Aroma of Cranberries. II. Vaccinium macrocarpon Ait.
stated in
The Aroma of Cranberries. I. Vaccinium vitis-idaea L..
Feijoa sellowiana
1 reference
stated in
Volatile flavour constituents in the skin oil from Feijoa sellowiana
Anthemis aciphylla
1 reference
stated in
The essential oil constituents and antimicrobial activity of Anthemis aciphylla BOISS. var. discoidea BOISS.
Acca sellowiana
1 reference
stated in
Volatile flavour constituents in the skin oil from Feijoa sellowiana
Identifiers
InChI
InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3
0 references
InChIKey
BCOXBEHFBZOJJZ-UHFFFAOYSA-N
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CAS Registry Number
72200-74-9
1 reference
InChIKey
BCOXBEHFBZOJJZ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=72200-74-9
PubChem CID
32809
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
BCOXBEHFBZOJJZ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL130435
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BCOXBEHFBZOJJZ-UHFFFAOYSA-N
UniChem compound ID
25125992
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID8047555
1 reference
matched by identifier from
InChIKey
InChIKey
BCOXBEHFBZOJJZ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID6027555
0 references
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