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1,3-Di-tert-butylhexahydropyrimidine-2-thione

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

1,3-Di-tert-butylhexahydropyrimidine-2-thione
SpectraBase Compound ID 1HAj5nhK8Jr
InChI InChI=1S/C12H24N2S/c1-11(2,3)13-8-7-9-14(10(13)15)12(4,5)6/h7-9H2,1-6H3
InChIKey PNUMMPBAKHSEPY-UHFFFAOYSA-N
Mol Weight 228.4 g/mol
Molecular Formula C12H24N2S
Exact Mass 228.16602 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J5AyaEGCAhS
Name 1,3-di-Tert-butylhexahydropyrimidine-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.166019955 u
Formula C12H24N2S
InChI InChI=1S/C12H24N2S/c1-11(2,3)13-8-7-9-14(10(13)15)12(4,5)6/h7-9H2,1-6H3
InChIKey PNUMMPBAKHSEPY-UHFFFAOYSA-N
Molecular Weight 228.398 g/mol
SMILES C1(N(C(C)(C)C)CCCN1C(C)(C)C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897634