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1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
SpectraBase Compound ID IVY2OoviuFQ
InChI InChI=1S/C9H12N2O2/c12-9(13)8-6-4-2-1-3-5-7(6)10-11-8/h1-5H2,(H,10,11)(H,12,13)
InChIKey NFNLJMOKEMQHAB-UHFFFAOYSA-N
Mol Weight 180.21 g/mol
Molecular Formula C9H12N2O2
Exact Mass 180.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sY63Zv6c0X
Name 1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazole-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O2
InChI InChI=1S/C9H12N2O2/c12-9(13)8-6-4-2-1-3-5-7(6)10-11-8/h1-5H2,(H,10,11)(H,12,13)
InChIKey NFNLJMOKEMQHAB-UHFFFAOYSA-N
Molecular Weight 180.207 g/mol
SMILES [nH]1c2c(c(C(=O)O)n1)CCCCC2
SPLASH splash10-001r-9800000000-46f34d6f2434b9bca83c
Source of Spectrum IY-2-4906-1
Synonyms Cyclohepta[c]pyrazole-3-carboxylic acid, 1,4,5,6,7,8-hexahydro-
Wiley ID 1657044