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Carbonothioic acid, O-(1-methylethyl) S-[1-(4-methylphenyl)-1H-tetrazol-5-yl]ester
SpectraBase Compound ID EeaTnvz6OoU
InChI InChI=1S/C12H14N4O2S/c1-8(2)18-12(17)19-11-13-14-15-16(11)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey QCBXCWYDEPOFBK-UHFFFAOYSA-N
Mol Weight 278.33 g/mol
Molecular Formula C12H14N4O2S
Exact Mass 278.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjKuE9fZZnE
Name Carbonothioic acid, O-(1-methylethyl) S-[1-(4-methylphenyl)-1H-tetrazol-5-yl]ester
Alternate Name(s) O-isopropyl S-[1-(4-methylphenyl)-1H-tetraazol-5-yl]thiocarbonate S-1-(4-methylphenyl)tetrazol-5-yl-mono-thiocarbonic acid isopropyl ester
CAS Registry Number 74940-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N4O2S
InChI InChI=1S/C12H14N4O2S/c1-8(2)18-12(17)19-11-13-14-15-16(11)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey QCBXCWYDEPOFBK-UHFFFAOYSA-N
Molecular Weight 278.330 g/mol
SMILES c1([n](nnn1)-c1ccc(cc1)C)SC(=O)OC(C)C
SPLASH splash10-001i-0900000000-cc94cd11f721ad6e1357
Source of Spectrum O-15-168-1
Wiley ID 1281533