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Carbonothioic acid, S-[1-(3-chlorophenyl)-1H-tetrazol-5-yl]O-ethyl ester
SpectraBase Compound ID RIge8wjWm0
InChI InChI=1S/C10H9ClN4O2S/c1-2-17-10(16)18-9-12-13-14-15(9)8-5-3-4-7(11)6-8/h3-6H,2H2,1H3
InChIKey XBFGSJWHUSZDHW-UHFFFAOYSA-N
Mol Weight 284.72 g/mol
Molecular Formula C10H9ClN4O2S
Exact Mass 284.013474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cm8FzHOQf7J
Name Carbonothioic acid, S-[1-(3-chlorophenyl)-1H-tetrazol-5-yl]O-ethyl ester
Alternate Name(s) S-1-(3-chlorophenyl)tetrazol-5-yl-mono-thiocarbonic acid ethyl ester S-[1-(3-chlorophenyl)-1H-tetraazol-5-yl]O-ethyl thiocarbonate
CAS Registry Number 74940-12-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9ClN4O2S
InChI InChI=1S/C10H9ClN4O2S/c1-2-17-10(16)18-9-12-13-14-15(9)8-5-3-4-7(11)6-8/h3-6H,2H2,1H3
InChIKey XBFGSJWHUSZDHW-UHFFFAOYSA-N
Molecular Weight 284.721 g/mol
SMILES c1([n](nnn1)-c1cc(Cl)ccc1)SC(=O)OCC
SPLASH splash10-0ita-9700000000-ad79d8608ee9e6d6867d
Source of Spectrum O-15-168-1
Wiley ID 1287345