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

*Links on SpectraBase are not permalinks.
4-Hydroxy-3-methoxycinnamaldehyde
SpectraBase Compound ID FSVyIce46OC
InChI InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
InChIKey DKZBBWMURDFHNE-NSCUHMNNSA-N
Mol Weight 178.19 g/mol
Molecular Formula C10H10O3
Exact Mass 178.062994 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 5hZsuG4KP27
Name 4-Hydroxy-3-methoxycinnamaldehyde
Acquisition Mode SIMULTANEOUS
CAS Registry Number 458-36-6
ChEBI ID 16547
Comments Saturated 4-Hydroxy-3-methoxycinnamaldehyde - Sigma-Aldrich Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C10 H10 O3
IUPAC Name (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal; (E)-3-(4-hydroxy-3-methoxy-phenyl)acrolein; (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enal
InChI InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
InChIKey DKZBBWMURDFHNE-NSCUHMNNSA-N
KEGG Compound ID C02666
KEGG Pathways PATH: ko00940 Phenylpropanoid biosynthesis
PubChem Compound ID 5280536
SMILES COC1=C(C=CC(=C1)C=CC=O)O; COC1=C(C=CC(=C1)\C=C\C=O)O
Source File Reference bmse000422