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(5-Benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetic acid
SpectraBase Compound ID AeS5AQZdf5j
InChI InChI=1S/C12H14N2O2S2/c15-11(16)7-13-8-14(12(17)18-9-13)6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
InChIKey TUMWSYRTKGBCAG-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C12H14N2O2S2
Exact Mass 282.04967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwlHVUjCltv
Name 2-(5-benzyl-6-sulfanylidene-1,3,5-thiadiazinan-3-yl)acetic acid
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Formula C12H14N2O2S2
InChI InChI=1S/C12H14N2O2S2/c15-11(16)7-13-8-14(12(17)18-9-13)6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)
InChIKey TUMWSYRTKGBCAG-UHFFFAOYSA-N
Molecular Weight 282.376 g/mol
SMILES OC(CN1CN(C(SC1)=S)Cc1ccccc1)=O
SPLASH splash10-0006-9200000000-a760cf3953487122d372
Source of Spectrum CJ-0-12-3404
Synonyms 2-(5-benzyl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetic acid 2-[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]acetic acid 2-[5-(phenylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]ethanoic acid
Wiley ID 1285398