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Carbonothioic acid, S-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]O-propyl ester
SpectraBase Compound ID IHNPktrOJ8M
InChI InChI=1S/C12H14N4O3S/c1-3-8-19-12(17)20-11-13-14-15-16(11)9-4-6-10(18-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKey CEESFOPLUJQKRR-UHFFFAOYSA-N
Mol Weight 294.33 g/mol
Molecular Formula C12H14N4O3S
Exact Mass 294.078661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KobAe3iPfHi
Name Carbonothioic acid, S-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]O-propyl ester
Alternate Name(s) S-1-(4-methoxyphenyl)tetrazol-5-yl-mono-thiocarbonic acid propyl ester S-[1-(4-methoxyphenyl)-1H-tetraazol-5-yl]O-propyl thiocarbonate
CAS Registry Number 74940-19-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N4O3S
InChI InChI=1S/C12H14N4O3S/c1-3-8-19-12(17)20-11-13-14-15-16(11)9-4-6-10(18-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKey CEESFOPLUJQKRR-UHFFFAOYSA-N
Molecular Weight 294.329 g/mol
SMILES c1([n](nnn1)-c1ccc(cc1)OC)SC(=O)OCCC
SPLASH splash10-0002-0900000000-9eb134ccd754f010a18d
Source of Spectrum O-15-168-1
Wiley ID 1296756