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S-cinnamyl phenylcarbamothioate

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

S-cinnamyl phenylcarbamothioate
SpectraBase Compound ID 4AQkFxPDKMr
InChI InChI=1S/C16H15NOS/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2,(H,17,18)/b10-7+
InChIKey PZNDYUSSIKNPAH-JXMROGBWSA-N
Mol Weight 269.36 g/mol
Molecular Formula C16H15NOS
Exact Mass 269.087435 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fizou3WMQba
Name S-Cinnamyl phenylcarbamothioate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.087435280 u
Formula C16H15NOS
InChI InChI=1S/C16H15NOS/c18-16(17-15-11-5-2-6-12-15)19-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2,(H,17,18)/b10-7+
InChIKey PZNDYUSSIKNPAH-JXMROGBWSA-N
Molecular Weight 269.362 g/mol
SMILES C=1C=C(C=CC1)\C=C\CSC(NC1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88796