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Ethyl 5-n-Butyl-4-[p-toluenesulfonyl]-1H-pyrazole-3-carboxylate
SpectraBase Compound ID DuHzHrQW49D
InChI InChI=1S/C17H22N2O4S/c1-4-6-7-14-16(15(19-18-14)17(20)23-5-2)24(21,22)13-10-8-12(3)9-11-13/h8-11H,4-7H2,1-3H3,(H,18,19)
InChIKey OFTPWAKWGCOUDH-UHFFFAOYSA-N
Mol Weight 350.43 g/mol
Molecular Formula C17H22N2O4S
Exact Mass 350.130028 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30T2owC4odP
Name Ethyl 5-n-Butyl-4-[p-toluenesulfonyl]-1H-pyrazole-3-carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O4S
InChI InChI=1S/C17H22N2O4S/c1-4-6-7-14-16(15(19-18-14)17(20)23-5-2)24(21,22)13-10-8-12(3)9-11-13/h8-11H,4-7H2,1-3H3,(H,18,19)
InChIKey OFTPWAKWGCOUDH-UHFFFAOYSA-N
Molecular Weight 350.433 g/mol
SMILES [nH]1nc(c(c1CCCC)S(c1ccc(cc1)C)(=O)=O)C(=O)OCC
SPLASH splash10-06tf-5094000000-958381bf25f58e4b04d2
Source of Spectrum J-73-8065-35
Wiley ID 1668710