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S-(3-Phenyl-1H-1,2,4-triazol-5-yl) ethanethioate
SpectraBase Compound ID IvuJPDWt3ln
InChI InChI=1S/C10H9N3OS/c1-7(14)15-10-11-9(12-13-10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,13)
InChIKey FDIYMSRRMSWKRY-UHFFFAOYSA-N
Mol Weight 219.26 g/mol
Molecular Formula C10H9N3OS
Exact Mass 219.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQLiq5cFZqJ
Name S-(3-Phenyl-1H-1,2,4-triazol-5-yl) ethanethioate
Alternate Name(s) 3-Phenyl-5-acetylthio-1,2,4-triazole S-(5-phenyl-1H-1,2,4-triazol-3-yl) ethanethioate
CAS Registry Number 74836-07-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9N3OS
InChI InChI=1S/C10H9N3OS/c1-7(14)15-10-11-9(12-13-10)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12,13)
InChIKey FDIYMSRRMSWKRY-UHFFFAOYSA-N
Molecular Weight 219.262 g/mol
SMILES [nH]1nc(nc1-c1ccccc1)SC(C)=O
SPLASH splash10-004l-8900000000-22070b6f0daf61b4a9b5
Source of Spectrum O-15-173-1
Wiley ID 1218654