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1H-1,2,4-Triazole, 1-(1-ethyl-1-propenyl)-3-(methylthio)-, (E)-
SpectraBase Compound ID 5ULJ7LOQ9nL
InChI InChI=1S/C8H13N3S/c1-4-7(5-2)11-6-9-8(10-11)12-3/h4,6H,5H2,1-3H3/b7-4+
InChIKey CQTBVQNULADDAW-QPJJXVBHSA-N
Mol Weight 183.27 g/mol
Molecular Formula C8H13N3S
Exact Mass 183.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1npmWBXzrD9
Name 1H-1,2,4-Triazole, 1-(1-ethyl-1-propenyl)-3-(methylthio)-, (E)-
CAS Registry Number 112390-19-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13N3S
InChI InChI=1S/C8H13N3S/c1-4-7(5-2)11-6-9-8(10-11)12-3/h4,6H,5H2,1-3H3/b7-4+
InChIKey CQTBVQNULADDAW-QPJJXVBHSA-N
Molecular Weight 183.273 g/mol
SMILES c1(nc[n](n1)\C(=C\C)CC)SC
SPLASH splash10-000i-0900000000-3fca8a139736e2c5e88b
Source of Spectrum KC-1987-1570-6
Synonyms 1-[(1E)-1-ethyl-1-propenyl]-1H-1,2,4-triazol-3-yl methyl sulfide 1-[(1E)-1-ethyl-1-propenyl]-3-(methylsulfanyl)-1H-1,2,4-triazole
Wiley ID 1179584