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3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-phenyl-5-propyl-
SpectraBase Compound ID KJ2QxCQHzZA
InChI InChI=1S/C11H13N3S/c1-2-6-10-12-13-11(15)14(10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15)
InChIKey VCAFSRUHGDHWPK-UHFFFAOYSA-N
Mol Weight 219.31 g/mol
Molecular Formula C11H13N3S
Exact Mass 219.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Uy3DBbFK4M
Name 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-phenyl-5-propyl-
CAS Registry Number 66921-08-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N3S
InChI InChI=1S/C11H13N3S/c1-2-6-10-12-13-11(15)14(10)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H,13,15)
InChIKey VCAFSRUHGDHWPK-UHFFFAOYSA-N
Molecular Weight 219.306 g/mol
SMILES Sc1nnc(CCC)[n]1-c1ccccc1
SPLASH splash10-014i-3790000000-d93ea28884f51ca087fc
Source of Spectrum W5-1989-9869-1
Synonyms 4-Phenyl-5-propyl-4H-1,2,4-triazole-3-thiol 3-Mercapto-4-phenyl-5-propyl-1,2,4-triazole 4-Phenyl-3-propyl-1H-1,2,4-triazole-5-thione 4H-1,2,4-Triazole-3-thiol, 4-phenyl-5-propyl-
Wiley ID 1218759