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(E)-S-hex-2-en-1-yl phenylcarbamothioate

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

(E)-S-hex-2-en-1-yl phenylcarbamothioate
SpectraBase Compound ID E0ybiRtBxue
InChI InChI=1S/C13H17NOS/c1-2-3-4-8-11-16-13(15)14-12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3,(H,14,15)/b8-4+
InChIKey DAOLRBCFUCOUNB-XBXARRHUSA-N
Mol Weight 235.34 g/mol
Molecular Formula C13H17NOS
Exact Mass 235.103085 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DTchFDC6W8p
Name (E)-S-hex-2-en-1-yl Phenylcarbamothioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.103085344 u
Formula C13H17NOS
InChI InChI=1S/C13H17NOS/c1-2-3-4-8-11-16-13(15)14-12-9-6-5-7-10-12/h4-10H,2-3,11H2,1H3,(H,14,15)/b8-4+
InChIKey DAOLRBCFUCOUNB-XBXARRHUSA-N
Molecular Weight 235.345 g/mol
SMILES C=1C=CC=CC1NC(SC\C=C\CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.909158