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3-Phenyl-5-(1,2-propadienylsulfanyl)-4H-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

3-Phenyl-5-(1,2-propadienylsulfanyl)-4H-1,2,4-triazole
SpectraBase Compound ID AKPnuvlGMV9
InChI InChI=1S/C11H9N3S/c1-2-8-15-11-12-10(13-14-11)9-6-4-3-5-7-9/h3-8H,1H2,(H,12,13,14)
InChIKey KVMBZYJXRBSWAB-UHFFFAOYSA-N
Mol Weight 215.27 g/mol
Molecular Formula C11H9N3S
Exact Mass 215.051718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GU7lR73USQ
Name 3-Phenyl-5-(1,2-propadienylsulfanyl)-4H-1,2,4-triazole
Alternate Name(s) 3-S-Prop-1,2-dienyl-5-phenyl-1,2,4-triazole 5-Phenyl-3-(propa-1,2-dienylthio)-1H-1,2,4-triazole 5-Phenyl-3-propa-1,2-dienylsulfanyl-1H-1,2,4-triazole
CAS Registry Number 64892-22-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3S
InChI InChI=1S/C11H9N3S/c1-2-8-15-11-12-10(13-14-11)9-6-4-3-5-7-9/h3-8H,1H2,(H,12,13,14)
InChIKey KVMBZYJXRBSWAB-UHFFFAOYSA-N
Molecular Weight 215.274 g/mol
SMILES [nH]1nc(nc1-c1ccccc1)SC=C=C
SPLASH splash10-0w29-9530000000-ef22589e398ed5d8a6a2
Source of Spectrum O-12-311-6
Wiley ID 1214497