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3-Butyl-1-(2-cyanoethyl)-1-cyclohexyl-2-thiourea

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3-Butyl-1-(2-cyanoethyl)-1-cyclohexyl-2-thiourea
SpectraBase Compound ID 1N4vd9SmbhK
InChI InChI=1S/C14H25N3S/c1-2-3-11-16-14(18)17(12-7-10-15)13-8-5-4-6-9-13/h13H,2-9,11-12H2,1H3,(H,16,18)
InChIKey YAUAETGKBACJRH-UHFFFAOYSA-N
Mol Weight 267.43 g/mol
Molecular Formula C14H25N3S
Exact Mass 267.176919 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DR5oyiI7OnL
Name 3-Butyl-1-(2-cyanoethyl)-1-cyclohexyl-2-thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 267.176918991 u
Formula C14H25N3S
InChI InChI=1S/C14H25N3S/c1-2-3-11-16-14(18)17(12-7-10-15)13-8-5-4-6-9-13/h13H,2-9,11-12H2,1H3,(H,16,18)
InChIKey YAUAETGKBACJRH-UHFFFAOYSA-N
Molecular Weight 267.435 g/mol
SMILES N(C(N(C1CCCCC1)CCC#N)=S)CCCC
Spectrum/Structure Validation Score (Raman) 0.95379