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S-(2,3-Dimethylallyl) N-phenylthiocarbamate

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

S-(2,3-Dimethylallyl) N-phenylthiocarbamate
SpectraBase Compound ID GckHxwDEtlU
InChI InChI=1S/C12H15NOS/c1-3-10(2)9-15-12(14)13-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3,(H,13,14)/b10-3+
InChIKey GBBONBIDEFGNFL-XCVCLJGOSA-N
Mol Weight 221.32 g/mol
Molecular Formula C12H15NOS
Exact Mass 221.087435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5f8ZLFg6r6X
Name S-(2,3-Dimethylallyl) N-phenylthiocarbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.087435280 u
Formula C12H15NOS
InChI InChI=1S/C12H15NOS/c1-3-10(2)9-15-12(14)13-11-7-5-4-6-8-11/h3-8H,9H2,1-2H3,(H,13,14)/b10-3+
InChIKey GBBONBIDEFGNFL-XCVCLJGOSA-N
Molecular Weight 221.318 g/mol
SMILES C(NC1=CC=CC=C1)(SC\C(=C\C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.961064