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Ethyl 5-(benzylthio)-3-methyl-1-tosyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID KUY5FEFB5tX
InChI InChI=1S/C21H22N2O4S2/c1-4-27-21(24)19-16(3)22-23(20(19)28-14-17-8-6-5-7-9-17)29(25,26)18-12-10-15(2)11-13-18/h5-13H,4,14H2,1-3H3
InChIKey BMAPJHPVQZVLKN-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C21H22N2O4S2
Exact Mass 430.1021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MXhOnhVhY
Name Ethyl 5-(benzylthio)-3-methyl-1-tosyl-1H-pyrazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4S2
InChI InChI=1S/C21H22N2O4S2/c1-4-27-21(24)19-16(3)22-23(20(19)28-14-17-8-6-5-7-9-17)29(25,26)18-12-10-15(2)11-13-18/h5-13H,4,14H2,1-3H3
InChIKey BMAPJHPVQZVLKN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.20010190213
Molecular Weight 430.537 g/mol
SMILES c1(n[n](S(=O)(c2ccc(cc2)C)=O)c(c1C(OCC)=O)SCc1ccccc1)C
SPLASH splash10-000l-7920000000-9e3623c3a191e2b55d73
Source of Spectrum CJC-19-187-9b
Wiley ID 1774747