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3,5-diisobutyltetrahydro-2H-1,3,5-thiadiazine-2-thione

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

3,5-diisobutyltetrahydro-2H-1,3,5-thiadiazine-2-thione
SpectraBase Compound ID 5LLNG3U2222
InChI InChI=1S/C11H22N2S2/c1-9(2)5-12-7-13(6-10(3)4)11(14)15-8-12/h9-10H,5-8H2,1-4H3
InChIKey ARSLXAUVOGCLAY-UHFFFAOYSA-N
Mol Weight 246.43 g/mol
Molecular Formula C11H22N2S2
Exact Mass 246.122441 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GGXsXB9kDHN
Name 3,5-Diisobutyltetrahydro-2H-1,3,5-thiadiazine-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.122441064 u
Formula C11H22N2S2
InChI InChI=1S/C11H22N2S2/c1-9(2)5-12-7-13(6-10(3)4)11(14)15-8-12/h9-10H,5-8H2,1-4H3
InChIKey ARSLXAUVOGCLAY-UHFFFAOYSA-N
Molecular Weight 246.431 g/mol
SMILES C1N(C(SCN1CC(C)C)=S)CC(C)C
Spectrum/Structure Validation Score (Raman) 0.814737