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5-BENZYLMERCAPTO-2-METHYL-4-PHENYL-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID DmSJ9siDWEF
InChI InChI=1S/C16H15N3S2/c1-18-16(20)19(14-10-6-3-7-11-14)15(17-18)21-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKey UADKKICOKIXZLX-UHFFFAOYSA-N
Mol Weight 313.44 g/mol
Molecular Formula C16H15N3S2
Exact Mass 313.07074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4dWQK4U04P
Name 2-Methyl-4-phenyl-5-benzylmercapto-1,2,4-triazoline-3-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3S2
InChI InChI=1S/C16H15N3S2/c1-18-16(20)19(14-10-6-3-7-11-14)15(17-18)21-12-13-8-4-2-5-9-13/h2-11H,12H2,1H3
InChIKey UADKKICOKIXZLX-UHFFFAOYSA-N
Molecular Weight 313.437 g/mol
SMILES C=1(N(C(N(N1)C)=S)c1ccccc1)SCc1ccccc1
SPLASH splash10-0006-9003000000-580adfd1dde4bf4ca985
Source of Spectrum Y-32-278-6
Wiley ID 1314179