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Carbonothioic acid, S-[1-(4-methylphenyl)-1H-tetrazol-5-yl]O-propyl ester
SpectraBase Compound ID 1R1PxArFdwf
InChI InChI=1S/C12H14N4O2S/c1-3-8-18-12(17)19-11-13-14-15-16(11)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey QNZGKJBPURRNQW-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 F51vNkbzdMi
Name Carbonothioic acid, S-[1-(4-methylphenyl)-1H-tetrazol-5-yl]O-propyl ester
CAS Registry Number 74940-17-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N4O2S
InChI InChI=1S/C12H14N4O2S/c1-3-8-18-12(17)19-11-13-14-15-16(11)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey QNZGKJBPURRNQW-UHFFFAOYSA-N
Molecular Weight 278.330 g/mol
SMILES c1([n](nnn1)-c1ccc(cc1)C)SC(=O)OCCC
SPLASH splash10-06si-0900000000-5c06a8470f11cbf9e212
Source of Spectrum O-15-168-1
Synonyms S-1-(4-methylphenyl)tetrazol-5-yl-mono-thiocarbonic acid propyl ester S-[1-(4-methylphenyl)-1H-tetraazol-5-yl]O-propyl thiocarbonate
Wiley ID 1281532