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n-Dodectyl N-phenylthiocarbamate

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

n-Dodectyl N-phenylthiocarbamate
SpectraBase Compound ID VrL7oELzEL
InChI InChI=1S/C19H31NOS/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(22)20-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H,20,22)
InChIKey SCLYHDFMXMWMHQ-UHFFFAOYSA-N
Mol Weight 321.52 g/mol
Molecular Formula C19H31NOS
Exact Mass 321.212636 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BHTNN10DUnj
Name N-Dodectyl N-phenylthiocarbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.212635795 u
Formula C19H31NOS
InChI InChI=1S/C19H31NOS/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(22)20-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H,20,22)
InChIKey SCLYHDFMXMWMHQ-UHFFFAOYSA-N
Molecular Weight 321.523 g/mol
SMILES C(NC=1C=CC=CC1)(=S)OCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.847334