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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 GMdw8RbAN42
Name 3,5,7-CYCLOHEPTATRIENE-1,3-DICARBOXYLIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name CH5
Molecular Weight 180.0420
SMILES OC(C=1CC(C(O)=O)=CC=CC1)=O
SPLASH splash10-003i-9500000000-31eae4bf3102ea9cfb8b
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