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English
2-Methoxy-4-(prop-1-enyl)phenyl 3-methylbutyrate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C/C=C/c1ccc(OC(=O)CC(C)C)c(OC)c1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C/C=C/c1ccc(OC(=O)CC(C)C)c(OC)c1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5-8,10-11H,9H2,1-4H3/b6-5+
0 references
InChIKey
JNVPTYXMIALTSY-AATRIKPKSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
61114-23-6
0 references
PubChem CID
6428969
1 reference
matched by identifier from
InChIKey
InChIKey
JNVPTYXMIALTSY-AATRIKPKSA-N
DSSTox substance ID
DTXSID301019792
1 reference
matched by identifier from
InChIKey
InChIKey
JNVPTYXMIALTSY-AATRIKPKSA-N
FL number
09.894
1 reference
stated in
EFSA database
FL number
09.894
quotation
CAS no.: 61114-23-6
(English)
retrieved
28 April 2021
UNII
35E7JVG2G5
1 reference
matched by identifier from
InChIKey
InChIKey
JNVPTYXMIALTSY-AATRIKPKSA-N
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