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1,6-Cycloheptadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-, (.+-.)-
SpectraBase Compound ID 23CZ7yipJDn
InChI InChI=1S/C11H12O5/c1-7(10(12)13)16-9-5-3-2-4-8(6-9)11(14)15/h2,4,6,9H,1,3,5H2,(H,12,13)(H,14,15)
InChIKey VJFDVDXXJRSPLZ-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 HAmDoFzF0qX
Name 1,6-Cycloheptadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-, (.+-.)-
Alternate Name(s) 3-[(1-carboxyvinyl)oxy]-1,6-cycloheptadiene-1-carboxylic acid 3-[1-(carboxyethenyl)oxy]cyclohepta-1,6-diene-1-carboxylic acid
CAS Registry Number 115730-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O5
InChI InChI=1S/C11H12O5/c1-7(10(12)13)16-9-5-3-2-4-8(6-9)11(14)15/h2,4,6,9H,1,3,5H2,(H,12,13)(H,14,15)
InChIKey VJFDVDXXJRSPLZ-UHFFFAOYSA-N
Molecular Weight 224.212 g/mol
SMILES OC(C1=CC(OC(C(=O)O)=C)CCC=C1)=O
SPLASH splash10-004l-9600000000-87357219ffd229b38221
Source of Spectrum J-53-4068-4
Wiley ID 1224713