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4H-1,4-benzothiazine-2-carboxylic acid, 3-methyl-, 3-phenylpropyl ester

View entire compound with spectra: 2 NMR

4H-1,4-benzothiazine-2-carboxylic acid, 3-methyl-, 3-phenylpropyl ester
SpectraBase Compound ID DCt0XlPBSIB
InChI InChI=1S/C19H19NO2S/c1-14-18(23-17-12-6-5-11-16(17)20-14)19(21)22-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,20H,7,10,13H2,1H3
InChIKey HLBSSZHVLWRLNE-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C19H19NO2S
Exact Mass 325.11365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LnEfMSnhNw9
Name 4H-1,4-Benzothiazine-2-carboxylic acid, 3-methyl-, 3-phenylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 325.113650028 u
Formula C19H19NO2S
InChI InChI=1S/C19H19NO2S/c1-14-18(23-17-12-6-5-11-16(17)20-14)19(21)22-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,20H,7,10,13H2,1H3
InChIKey HLBSSZHVLWRLNE-UHFFFAOYSA-N
Molecular Weight 325.426 g/mol
SMILES N1C2=CC=CC=C2SC(=C1C)C(=O)OCCCC1=CC=CC=C1