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3-(5-Methylthiophen-2-yl)-1H-pyrazole-5-carboxylic acid
SpectraBase Compound ID 22vSCoM2Pev
InChI InChI=1S/C9H8N2O2S/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey JIJVBLCUMDFCFW-UHFFFAOYSA-N
Mol Weight 208.23 g/mol
Molecular Formula C9H8N2O2S
Exact Mass 208.030649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lmqd6i4j2sH
Name 3-(5-Methylthiophen-2-yl)-1H-pyrazole-5-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O2S
InChI InChI=1S/C9H8N2O2S/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey JIJVBLCUMDFCFW-UHFFFAOYSA-N
Molecular Weight 208.235 g/mol
SMILES [nH]1c(C(=O)O)cc(-c2sc(C)cc2)n1
SPLASH splash10-053v-9410000000-c1fcf44942a8dfcbe6d2
Source of Spectrum IY-2-5148-6
Synonyms 5-(5-Methyl-2-thiophenyl)-1H-pyrazole-3-carboxylic acid 5-(5-Methylthiophen-2-yl)-1H-pyrazole-3-carboxylic acid
Wiley ID 1659469