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Benzenepropanoic acid, .beta.-hydroxy-.alpha.-1-propenyl-, methyl ester
SpectraBase Compound ID FutgZL4EmJu
InChI InChI=1S/C13H16O3/c1-3-7-11(13(15)16-2)12(14)10-8-5-4-6-9-10/h3-9,11-12,14H,1-2H3/b7-3+
InChIKey MXAHTGJUQPFFAG-XVNBXDOJSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fsKscwo3Fv
Name Benzenepropanoic acid, .beta.-hydroxy-.alpha.-1-propenyl-, methyl ester
Alternate Name(s) (E)-Methyl 2-(1-hydroxybenzyl)pent-3-enoate Methyl (erythro)-2-[1'-hydroxy-1'-phenylmethyl]-3-pentenoate Methyl (threo)-2-[1'-hydroxy-1'-phenylmethyl]-3-pentenoate Methyl (3E)-2-[hydroxy(phenyl)methyl]-3-pentenoate
CAS Registry Number 99683-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-3-7-11(13(15)16-2)12(14)10-8-5-4-6-9-10/h3-9,11-12,14H,1-2H3/b7-3+
InChIKey MXAHTGJUQPFFAG-XVNBXDOJSA-N
Molecular Weight 220.268 g/mol
SMILES OC(C(C(=O)OC)\C=C\C)c1ccccc1
SPLASH splash10-08fr-5900000000-cea9c8b9d865ea37019d
Source of Spectrum U1-1999-800-1
Wiley ID 752601