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BENZYL-3,6-DIHYDRO-3-PHENYL-1-LAMBDA(4),2-THIAZINE-2-CARBOXYLATE;ISOMER-CIS
SpectraBase Compound ID 47VVCiTvh85
InChI InChI=1S/C18H17NO3S/c20-18(22-14-15-8-3-1-4-9-15)19-17(12-7-13-23(19)21)16-10-5-2-6-11-16/h1-12,17H,13-14H2/t17-,23?/m1/s1
InChIKey KYEKQBNESWPWAC-LIXIDFRTSA-N
Mol Weight 327.4 g/mol
Molecular Formula C18H17NO3S
Exact Mass 327.092915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwriyvcFeAL
Name (1R,3R)-1-keto-3-phenyl-3,6-dihydrothiazine-2-carboxylic acid benzyl ester
Alternate Name(s) (1R,3R)-1-oxo-3-phenyl-3,6-dihydrothiazine-2-carboxylic acid (phenylmethyl) ester (phenylmethyl) (1R,3R)-1-oxidanylidene-3-phenyl-3,6-dihydro-1,2-thiazine-2-carboxylate benzyl (1R,3R)-1-oxo-3-phenyl-3,6-dihydrothiazine-2-carboxylate
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Formula C18H17NO3S
InChI InChI=1S/C18H17NO3S/c20-18(22-14-15-8-3-1-4-9-15)19-17(12-7-13-23(19)21)16-10-5-2-6-11-16/h1-12,17H,13-14H2/t17-,23?/m1/s1
InChIKey KYEKQBNESWPWAC-LIXIDFRTSA-N
Molecular Weight 327.398 g/mol
SMILES C1[S@](N([C@](C=C1)(c1ccccc1)[H])C(OCc1ccccc1)=O)=O
SPLASH splash10-005c-2900000000-e657210ca671d99dbeaa
Source of Spectrum U1-0-5256-13
Wiley ID 1590047