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2-(5-Benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)propanoic acid
SpectraBase Compound ID JkvFNnsUYfb
InChI InChI=1S/C13H16N2O2S2/c1-10(12(16)17)15-8-14(13(18)19-9-15)7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,17)
InChIKey SYQBQPFEZGCBJH-UHFFFAOYSA-N
Mol Weight 296.4 g/mol
Molecular Formula C13H16N2O2S2
Exact Mass 296.06532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59GeaaE79Qs
Name 2-(5-Benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)propanoic acid
Appearance Colourless solid
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Formula C13H16N2O2S2
InChI InChI=1S/C13H16N2O2S2/c1-10(12(16)17)15-8-14(13(18)19-9-15)7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,17)
InChIKey SYQBQPFEZGCBJH-UHFFFAOYSA-N
Instrument Name Jeol Mat 312
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3705
Molecular Weight 296.403 g/mol
SMILES OC(C(N1CN(Cc2ccccc2)C(SC1)=S)C)=O
SPLASH splash10-002f-9200000000-e7226b75ff01b3a7e2bd
Source of Spectrum Y-56-3076-2
Wiley ID 1861118