For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
TRANS-METHYL-SINAPATE
SpectraBase Compound ID 8npHb6vl1X0
InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+
InChIKey JHLPYWLKSLVYOI-SNAWJCMRSA-N
Mol Weight 238.24 g/mol
Molecular Formula C12H14O5
Exact Mass 238.084124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID H8phCHxfkoR
Name Methyl sinapate
Alternate Name(s) (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrylic acid methyl ester (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid methyl ester Methyl (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enoate Methyl (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoate
CAS Registry Number 20733-94-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O5
InChI InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)17-3)7-10(16-2)12(9)14/h4-7,14H,1-3H3/b5-4+
InChIKey JHLPYWLKSLVYOI-SNAWJCMRSA-N
Molecular Weight 238.239 g/mol
SMILES Oc1c(cc(\C=C\C(=O)OC)cc1OC)OC
SPLASH splash10-000i-1290000000-7dc24c67ee08ffe578ce
Source of Spectrum B-60-249-16
Wiley ID 1583822