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(Q105132156)
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English
hex-3-en-1-yl (2E)-2-methylbut-2-enoate
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
mass
182.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₈O₂
0 references
canonical SMILES
O=C(OCCC=CCC)C(=CC)C
0 references
isomeric SMILES
C/C=C(\C)C(=O)OCCC=CCC
1 reference
based on heuristic
inferred from InChI
found in taxon
Eupatorium cannabinum
1 reference
stated in
Analysis of the Essential Oil of Eupatorium cannabinum by Combined Gas Chromatography-Mass Spectrometry Using Electron Impact and Negative Ion Chemical Ionization
Identifiers
InChI
InChI=1S/C11H18O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5-7H,4,8-9H2,1-3H3/b7-6?,10-5+
0 references
InChIKey
JNWQKXUWZWKUAY-ZKELMAFTSA-N
0 references
PubChem CID
87289898
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JNWQKXUWZWKUAY-ZKELMAFTSA-N
UniChem compound ID
99368785
1 reference
stated in
UniChem
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