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(5R,6S)-Ethyl 2-Methylsulfinyl-5-phenyl-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylate

View entire compound with spectra: 1 MS (GC)

(5R,6S)-Ethyl 2-Methylsulfinyl-5-phenyl-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylate
SpectraBase Compound ID 7a5sTlfK3mR
InChI InChI=1S/C13H16N2O3S2/c1-3-18-12(16)11-10(9-7-5-4-6-8-9)14-15-13(19-11)20(2)17/h4-8,10-11,14H,3H2,1-2H3/t10-,11+,20?/m1/s1
InChIKey DABRZFMCKRVVNK-GFVHNQSTSA-N
Mol Weight 312.4 g/mol
Molecular Formula C13H16N2O3S2
Exact Mass 312.060235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtlhVm10TlY
Name (5R,6S)-Ethyl 2-Methylsulfinyl-5-phenyl-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylate
Alternate Name(s) Ethyl (5R,6S)-2-(methylsulfinyl)-5-phenyl-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylate trans-Ethyl 2-Methylsulfinyl-5-phenyl-5,6-dihydro-4H-1,3,4-thiadiazine-6-carboxylate
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Formula C13H16N2O3S2
InChI InChI=1S/C13H16N2O3S2/c1-3-18-12(16)11-10(9-7-5-4-6-8-9)14-15-13(19-11)20(2)17/h4-8,10-11,14H,3H2,1-2H3/t10-,11+,20?/m1/s1
InChIKey DABRZFMCKRVVNK-GFVHNQSTSA-N
Molecular Weight 312.402 g/mol
SMILES N1[C@@]([C@](SC(=N1)S(=O)C)(C(=O)OCC)[H])(c1ccccc1)[H]
SPLASH splash10-0w2a-0898000000-199a1244932552efa8e7
Source of Spectrum AJ-69-1050-7
Wiley ID 773568