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4-(2-Benzylthiophenyl)-4H-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

4-(2-Benzylthiophenyl)-4H-1,2,4-triazole
SpectraBase Compound ID 4q5N1ru1tbY
InChI InChI=1S/C15H13N3S/c1-2-6-13(7-3-1)10-19-15-9-5-4-8-14(15)18-11-16-17-12-18/h1-9,11-12H,10H2
InChIKey OZCLGTZUKKPCRM-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C15H13N3S
Exact Mass 267.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWHAtg3iTjV
Name 4-(2-Benzylthiophenyl)-4H-1,2,4-triazole
Alternate Name(s) 4-[2-(phenylmethylthio)phenyl]-1,2,4-triazole 4-(2-benzylsulfanylphenyl)-1,2,4-triazole 4-[2-(phenylmethylsulfanyl)phenyl]-1,2,4-triazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3S
InChI InChI=1S/C15H13N3S/c1-2-6-13(7-3-1)10-19-15-9-5-4-8-14(15)18-11-16-17-12-18/h1-9,11-12H,10H2
InChIKey OZCLGTZUKKPCRM-UHFFFAOYSA-N
Molecular Weight 267.350 g/mol
SMILES c1(-[n]2cnnc2)c(SCc2ccccc2)cccc1
SPLASH splash10-014l-6090000000-56695e9a931a46a184d9
Source of Spectrum F4-42-2282-2e
Wiley ID 1674169