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Methyl (erythro)-2-[1'-hydroxy-1'-phenylmethyl]-3-hexenoate
SpectraBase Compound ID Be1CYkQuG5C
InChI InChI=1S/C14H18O3/c1-3-4-10-12(14(16)17-2)13(15)11-8-6-5-7-9-11/h4-10,12-13,15H,3H2,1-2H3/b10-4+
InChIKey AYYAUBGEMDXOQX-ONNFQVAWSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZBHPIXNPzX
Name Methyl (erythro)-2-[1'-hydroxy-1'-phenylmethyl]-3-hexenoate
Alternate Name(s) Methyl (threo)-2-[1'-hydroxy-1'-phenylmethyl]-3-hexenoate Methyl (3E)-2-[hydroxy(phenyl)methyl]-3-hexenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-3-4-10-12(14(16)17-2)13(15)11-8-6-5-7-9-11/h4-10,12-13,15H,3H2,1-2H3/b10-4+
InChIKey AYYAUBGEMDXOQX-ONNFQVAWSA-N
Molecular Weight 234.295 g/mol
SMILES OC(C(C(=O)OC)\C=C\CC)c1ccccc1
SPLASH splash10-004i-4900000000-26c8f0f04be1cb094986
Source of Spectrum U1-1999-800-1
Wiley ID 752605