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1,1-Dibutyl-3-(2-methylallyl)thiourea

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

1,1-Dibutyl-3-(2-methylallyl)thiourea
SpectraBase Compound ID 9ylpbvConDJ
InChI InChI=1S/C13H26N2S/c1-5-7-9-15(10-8-6-2)13(16)14-11-12(3)4/h3,5-11H2,1-2,4H3,(H,14,16)
InChIKey BFSZADBAMVZNKR-UHFFFAOYSA-N
Mol Weight 242.42 g/mol
Molecular Formula C13H26N2S
Exact Mass 242.18167 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AaNXfgRCDOi
Name 1,1-Dibutyl-3-(2-methylallyl)thiourea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.181670019 u
Formula C13H26N2S
InChI InChI=1S/C13H26N2S/c1-5-7-9-15(10-8-6-2)13(16)14-11-12(3)4/h3,5-11H2,1-2,4H3,(H,14,16)
InChIKey BFSZADBAMVZNKR-UHFFFAOYSA-N
Molecular Weight 242.425 g/mol
SMILES C=C(CNC(N(CCCC)CCCC)=S)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.942465