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Ethyl 4-(tolyl)-1,2,5-thiadiazole-3-carboxylate
SpectraBase Compound ID JHSFybJsEoG
InChI InChI=1S/C12H12N2O2S/c1-3-16-12(15)11-10(13-17-14-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey PYMLSYXLUNIHPB-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Alv88Wyq0p
Name Ethyl 4-(tolyl)-1,2,5-thiadiazole-3-carboxylate
Alternate Name(s) Ethyl 4-(4-methylphenyl)-1,2,5-thiadiazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2S
InChI InChI=1S/C12H12N2O2S/c1-3-16-12(15)11-10(13-17-14-11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey PYMLSYXLUNIHPB-UHFFFAOYSA-N
Molecular Weight 248.300 g/mol
SMILES c1(c(nsn1)-c1ccc(cc1)C)C(=O)OCC
SPLASH splash10-0002-0590000000-476717d4fbaa4f23b3e5
Source of Spectrum H1-53-171-3
Wiley ID 817730