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2-Methylallyl N-(4-chlorophenyl)dithiocarbamate

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

2-Methylallyl N-(4-chlorophenyl)dithiocarbamate
SpectraBase Compound ID LBtOl5Ld2wX
InChI InChI=1S/C11H12ClNS2/c1-8(2)7-15-11(14)13-10-5-3-9(12)4-6-10/h3-6H,1,7H2,2H3,(H,13,14)
InChIKey GTZLIOYCRYXFCL-UHFFFAOYSA-N
Mol Weight 257.8 g/mol
Molecular Formula C11H12ClNS2
Exact Mass 257.009969 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FmYQCH2kzWr
Name 2-Methylallyl N-(4-chlorophenyl)dithiocarbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 257.009969438 u
Formula C11H12ClNS2
InChI InChI=1S/C11H12ClNS2/c1-8(2)7-15-11(14)13-10-5-3-9(12)4-6-10/h3-6H,1,7H2,2H3,(H,13,14)
InChIKey GTZLIOYCRYXFCL-UHFFFAOYSA-N
Molecular Weight 257.797 g/mol
SMILES C(NC=1C=CC(=CC1)Cl)(=S)SCC(=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917998