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2,6-Cycloheptadiene-1-propanoic acid, 1-carboxy-.alpha.-oxo-
SpectraBase Compound ID FYz5kAAw4Ki
InChI InChI=1S/C11H12O5/c12-8(9(13)14)7-11(10(15)16)5-3-1-2-4-6-11/h3-6H,1-2,7H2,(H,13,14)(H,15,16)
InChIKey VAMGOIYPXVBFFN-UHFFFAOYSA-N
Mol Weight 224.21 g/mol
Molecular Formula C11H12O5
Exact Mass 224.068473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QreEuulH9c
Name 2,6-Cycloheptadiene-1-propanoic acid, 1-carboxy-.alpha.-oxo-
CAS Registry Number 115651-73-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O5
InChI InChI=1S/C11H12O5/c12-8(9(13)14)7-11(10(15)16)5-3-1-2-4-6-11/h3-6H,1-2,7H2,(H,13,14)(H,15,16)
InChIKey VAMGOIYPXVBFFN-UHFFFAOYSA-N
Molecular Weight 224.212 g/mol
SMILES OC(C1(CC(C(=O)O)=O)C=CCCC=C1)=O
SPLASH splash10-052o-4900000000-24575ad7817ea2550958
Source of Spectrum J-53-4069-5
Synonyms 1-(2-carboxy-2-oxoethyl)-2,6-cycloheptadiene-1-carboxylic acid 1-Carboxy-.alpha.-oxo-2,6-cycloheptadiene-1-propanoic acid
Wiley ID 1224714