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

*Links on SpectraBase are not permalinks.
4-Hydroxy-3-keto-cyclohepta-1,4,6-triene-1-carboxylic acid methyl ester
SpectraBase Compound ID 6BiRx9znsMa
InChI InChI=1S/C9H8O4/c1-13-9(12)6-3-2-4-7(10)8(11)5-6/h2-5H,1H3,(H,10,11)
InChIKey DACKNJOJYDZJOQ-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 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 3smEeFXRbs
Name 4-Hydroxy-3-keto-cyclohepta-1,4,6-triene-1-carboxylic acid methyl ester
CAS Registry Number 28595-19-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c1-13-9(12)6-3-2-4-7(10)8(11)5-6/h2-5H,1H3,(H,10,11)
InChIKey DACKNJOJYDZJOQ-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES OC1=CC(C(=O)OC)=CC=CC1=O
SPLASH splash10-001i-5900000000-850280af7fdc2c702998
Source of Spectrum B-32-1334-0
Synonyms 4-Hydroxy-3-oxo-1-cyclohepta-1,4,6-trienecarboxylic acid methyl ester Methyl 4-hydroxy-3-oxo-cyclohepta-1,4,6-triene-1-carboxylate Methyl 4-oxidanyl-3-oxidanylidene-cyclohepta-1,4,6-triene-1-carboxylate
Wiley ID 1175936