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Thiobutabarbital

View entire compound with spectra: 6 MS (GC)

Thiobutabarbital
SpectraBase Compound ID InDONRNBsrz
InChI InChI=1S/C10H16N2O2S/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKey IDELNEDBPWKHGK-UHFFFAOYSA-N
Mol Weight 228.31 g/mol
Molecular Formula C10H16N2O2S
Exact Mass 228.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6r6vfspywyX
Name 5-Butan-2-yl-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16N2O2S
InChI InChI=1S/C10H16N2O2S/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKey IDELNEDBPWKHGK-UHFFFAOYSA-N
Molecular Weight 228.310 g/mol
SMILES N1C(C(C(NC1=S)=O)(C(CC)C)CC)=O
SPLASH splash10-05fr-2900000000-9e74b81768010e4fe340
Source of Spectrum JC-530-316-49
Synonyms thiobutabarbital 5-Ethyl-5-sec-butyl-2-thioxo-hexahydropyrimidine-4,6-dione 5-Ethyl-5-sec-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone
Wiley ID 1229268