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4H-1,2,4-Triazole-3-thiol, 5-cyclopropyl-4-(1-phenylethyl)-

View entire compound with spectra: 1 MS (GC)

4H-1,2,4-Triazole-3-thiol, 5-cyclopropyl-4-(1-phenylethyl)-
SpectraBase Compound ID ASnWEFIzekg
InChI InChI=1S/C13H15N3S/c1-9(10-5-3-2-4-6-10)16-12(11-7-8-11)14-15-13(16)17/h2-6,9,11H,7-8H2,1H3,(H,15,17)
InChIKey HJLNYRJDIFXGMM-UHFFFAOYSA-N
Mol Weight 245.34 g/mol
Molecular Formula C13H15N3S
Exact Mass 245.098669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BMvfrDZqXuy
Name 4H-1,2,4-Triazole-3-thiol, 5-cyclopropyl-4-(1-phenylethyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3S
InChI InChI=1S/C13H15N3S/c1-9(10-5-3-2-4-6-10)16-12(11-7-8-11)14-15-13(16)17/h2-6,9,11H,7-8H2,1H3,(H,15,17)
InChIKey HJLNYRJDIFXGMM-UHFFFAOYSA-N
Molecular Weight 245.344 g/mol
SMILES Sc1[n](c(nn1)C1CC1)C(c1ccccc1)C
SPLASH splash10-0a4i-4900000000-7e98322634239f48c9d7
Source of Spectrum IY-1-4427-9
Wiley ID 1652262