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1,4-Dibenzyl-1-methylthiosemicarbazide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1,4-Dibenzyl-1-methylthiosemicarbazide
SpectraBase Compound ID Ju2BAZS92Rg
InChI InChI=1S/C16H19N3S/c1-19(13-15-10-6-3-7-11-15)18-16(20)17-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H2,17,18,20)
InChIKey AELCXKKJYAXFTJ-UHFFFAOYSA-N
Mol Weight 285.41 g/mol
Molecular Formula C16H19N3S
Exact Mass 285.129969 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 25pXa7sqMUn
Name 1,4-Dibenzyl-1-methylthiosemicarbazide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 285.129968798 u
Formula C16H19N3S
InChI InChI=1S/C16H19N3S/c1-19(13-15-10-6-3-7-11-15)18-16(20)17-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H2,17,18,20)
InChIKey AELCXKKJYAXFTJ-UHFFFAOYSA-N
SMILES C(NN(CC=1C=CC=CC1)C)(=S)NCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899967