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4H-Benzo[b]-1,4-thiazine-2-carboxylic acid, 3-methyl-, 2-phenylethyl ester
SpectraBase Compound ID ClvaKuUWTzH
InChI InChI=1S/C18H17NO2S/c1-13-17(22-16-10-6-5-9-15(16)19-13)18(20)21-12-11-14-7-3-2-4-8-14/h2-10,19H,11-12H2,1H3
InChIKey YQZFWNDSEARPOZ-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C18H17NO2S
Exact Mass 311.098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4roYNmT8yfh
Name 4H-Benzo[B]-1,4-thiazine-2-carboxylic acid, 3-methyl-, 2-phenylethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 311.097999963 u
Formula C18H17NO2S
InChI InChI=1S/C18H17NO2S/c1-13-17(22-16-10-6-5-9-15(16)19-13)18(20)21-12-11-14-7-3-2-4-8-14/h2-10,19H,11-12H2,1H3
InChIKey YQZFWNDSEARPOZ-UHFFFAOYSA-N
Molecular Weight 311.399 g/mol
SMILES C=1(SC2=CC=CC=C2NC1C)C(=O)OCCC1=CC=CC=C1