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1-Ethyl-5-isothiocyanato-4-pyrazolecarboxylic acid ethyl ester
SpectraBase Compound ID 7Cb5DRNcqCc
InChI InChI=1S/C9H11N3O2S/c1-3-12-8(10-6-15)7(5-11-12)9(13)14-4-2/h5H,3-4H2,1-2H3
InChIKey RUIPBULEMZEQSC-UHFFFAOYSA-N
Mol Weight 225.27 g/mol
Molecular Formula C9H11N3O2S
Exact Mass 225.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtYQf4YEaN3
Name 1-Ethyl-5-isothiocyanato-4-pyrazolecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N3O2S
InChI InChI=1S/C9H11N3O2S/c1-3-12-8(10-6-15)7(5-11-12)9(13)14-4-2/h5H,3-4H2,1-2H3
InChIKey RUIPBULEMZEQSC-UHFFFAOYSA-N
Molecular Weight 225.266 g/mol
SMILES c1(c([n](CC)nc1)N=C=S)C(=O)OCC
SPLASH splash10-003r-0950000000-3747fce0d00d685fde17
Source of Spectrum Y-32-1156-4
Synonyms 1-Ethyl-5-isothiocyanato-pyrazole-4-carboxylic acid ethyl ester Ethyl 1-ethyl-5-isothiocyanato-pyrazole-4-carboxylate
Wiley ID 1226163