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Acetic acid, 2-phenoxy-, 3-benzoyl-2-methyl-2H-1,2-benzothiazin-4-yl ester, S,S-dioxide

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Acetic acid, 2-phenoxy-, 3-benzoyl-2-methyl-2H-1,2-benzothiazin-4-yl ester, S,S-dioxide
SpectraBase Compound ID 7UrvydTGzUB
InChI InChI=1S/C24H19NO6S/c1-25-22(23(27)17-10-4-2-5-11-17)24(19-14-8-9-15-20(19)32(25,28)29)31-21(26)16-30-18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKey NXKUPCCRSKDGFP-UHFFFAOYSA-N
Mol Weight 449.48 g/mol
Molecular Formula C24H19NO6S
Exact Mass 449.093309 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FsD6ioCrsT
Name Acetic acid, 2-phenoxy-, 3-benzoyl-2-methyl-2H-1,2-benzothiazin-4-yl ester, S,S-dioxide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.093308504 u
Formula C24H19NO6S
InChI InChI=1S/C24H19NO6S/c1-25-22(23(27)17-10-4-2-5-11-17)24(19-14-8-9-15-20(19)32(25,28)29)31-21(26)16-30-18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKey NXKUPCCRSKDGFP-UHFFFAOYSA-N
Molecular Weight 449.477 g/mol
SMILES C=1(N(S(C=2C(C1OC(=O)COC=1C=CC=CC1)=CC=CC2)(=O)=O)C)C(=O)C=1C=CC=CC1