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N-(2-methylallyl)-2-m-tolylhydrazinecarbothioamide

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

N-(2-methylallyl)-2-m-tolylhydrazinecarbothioamide
SpectraBase Compound ID C5cYuIZIokK
InChI InChI=1S/C12H17N3S/c1-9(2)8-13-12(16)15-14-11-6-4-5-10(3)7-11/h4-7,14H,1,8H2,2-3H3,(H2,13,15,16)
InChIKey PMXNEASAQAVGGE-UHFFFAOYSA-N
Mol Weight 235.35 g/mol
Molecular Formula C12H17N3S
Exact Mass 235.114319 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5S8UJpRN1FO
Name N-(2-Methylallyl)-2-m-tolylhydrazinecarbothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.114318733 u
Formula C12H17N3S
InChI InChI=1S/C12H17N3S/c1-9(2)8-13-12(16)15-14-11-6-4-5-10(3)7-11/h4-7,14H,1,8H2,2-3H3,(H2,13,15,16)
InChIKey PMXNEASAQAVGGE-UHFFFAOYSA-N
Molecular Weight 235.349 g/mol
SMILES C=C(CNC(NNC1=CC(=CC=C1)C)=S)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911962