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3,5,7-Cycloheptatriene-1,3-dicarboxylic acid
SpectraBase Compound ID KSW6Nd8PsWw
InChI InChI=1S/C9H8O4/c10-8(11)6-3-1-2-4-7(5-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey PNWFJKSGFMUYFI-UHFFFAOYSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QZ54kc6QJL
Name 3,5,7-Cycloheptatriene-1,3-dicarboxylic acid
Alternate Name(s) cyclohepta-3,5,7-triene-1,3-dicarboxylic acid
CAS Registry Number 73875-01-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-8(11)6-3-1-2-4-7(5-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)
InChIKey PNWFJKSGFMUYFI-UHFFFAOYSA-N
Molecular Weight 180.159 g/mol
SMILES OC(C=1CC(C(=O)O)=CC=CC1)=O
SPLASH splash10-003i-9500000000-559c095b2371f90843b6
Source of Spectrum HE-1982-0-0
Wiley ID 18045