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3-Butyl-4-hydroxy-4,6,6-trimethylhexahydropyrimidin-2-thione

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

3-Butyl-4-hydroxy-4,6,6-trimethylhexahydropyrimidin-2-thione
SpectraBase Compound ID GzSFfSSFiD4
InChI InChI=1S/C11H22N2OS/c1-5-6-7-13-9(15)12-10(2,3)8-11(13,4)14/h14H,5-8H2,1-4H3,(H,12,15)
InChIKey BULUZRKQERNXKA-UHFFFAOYSA-N
Mol Weight 230.37 g/mol
Molecular Formula C11H22N2OS
Exact Mass 230.145285 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 68SBBD0hY3O
Name 3-Butyl-4-hydroxy-4,6,6-trimethylhexahydropyrimidin-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.145284509 u
Formula C11H22N2OS
InChI InChI=1S/C11H22N2OS/c1-5-6-7-13-9(15)12-10(2,3)8-11(13,4)14/h14H,5-8H2,1-4H3,(H,12,15)
InChIKey BULUZRKQERNXKA-UHFFFAOYSA-N
Molecular Weight 230.370 g/mol
SMILES C1(CC(N(C(N1)=S)CCCC)(O)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.888549