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1-Ethyl-3-[2-(octadecylthio)ethyl]thiourea

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

1-Ethyl-3-[2-(octadecylthio)ethyl]thiourea
SpectraBase Compound ID JXqih9nr9fZ
InChI InChI=1S/C23H48N2S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-22-20-25-23(26)24-4-2/h3-22H2,1-2H3,(H2,24,25,26)
InChIKey RJFGAGAVSJJEOE-UHFFFAOYSA-N
Mol Weight 416.8 g/mol
Molecular Formula C23H48N2S2
Exact Mass 416.325892 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KECSFENqQt2
Name 1-Ethyl-3-[2-(octadecylthio)ethyl]thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.325891902 u
Formula C23H48N2S2
InChI InChI=1S/C23H48N2S2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-22-20-25-23(26)24-4-2/h3-22H2,1-2H3,(H2,24,25,26)
InChIKey RJFGAGAVSJJEOE-UHFFFAOYSA-N
Molecular Weight 416.771 g/mol
SMILES C(=S)(NCC)NCCSCCCCCCCCCCCCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859552