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5-[(ethylthio)methyl]-1H-pyrazole-3-carboxylic acid ethyl ester
SpectraBase Compound ID 4iulqm0iUKk
InChI InChI=1S/C9H14N2O2S/c1-3-13-9(12)8-5-7(10-11-8)6-14-4-2/h5H,3-4,6H2,1-2H3,(H,10,11)
InChIKey QSTSDGNQEUDXMO-UHFFFAOYSA-N
Mol Weight 214.28 g/mol
Molecular Formula C9H14N2O2S
Exact Mass 214.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EkpKcL6WWS9
Name 5-[(ethylthio)methyl]-1H-pyrazole-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14N2O2S
InChI InChI=1S/C9H14N2O2S/c1-3-13-9(12)8-5-7(10-11-8)6-14-4-2/h5H,3-4,6H2,1-2H3,(H,10,11)
InChIKey QSTSDGNQEUDXMO-UHFFFAOYSA-N
Molecular Weight 214.283 g/mol
SMILES [nH]1nc(cc1C(=O)OCC)CSCC
SPLASH splash10-0a4i-0900000000-064d927d9d45b4f10f8f
Source of Spectrum K1-2001-4486-9
Synonyms Ethyl 5-(ethylsulfanylmethyl)-1H-pyrazole-3-carboxylate
Wiley ID 813794