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4-[5-Fluoro-2-(pyridin-2-yl)phenyl]-3,4-dihydrobenzo[e][1,2,3]oxathiazine 2,2-dioxide
SpectraBase Compound ID 1aJPpFkh3lT
InChI InChI=1S/C18H13FN2O3S/c19-12-8-9-13(16-6-3-4-10-20-16)15(11-12)18-14-5-1-2-7-17(14)24-25(22,23)21-18/h1-11,18,21H
InChIKey HHTCTQYQSFUXSM-UHFFFAOYSA-N
Mol Weight 356.37 g/mol
Molecular Formula C18H13FN2O3S
Exact Mass 356.063092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jHbBkClBN
Name 4-[5-Fluoro-2-(pyridin-2-yl)phenyl]-3,4-dihydrobenzo[e][1,2,3]oxathiazine 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13FN2O3S
InChI InChI=1S/C18H13FN2O3S/c19-12-8-9-13(16-6-3-4-10-20-16)15(11-12)18-14-5-1-2-7-17(14)24-25(22,23)21-18/h1-11,18,21H
InChIKey HHTCTQYQSFUXSM-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol500918t
Molecular Weight 356.371 g/mol
SMILES N1S(Oc2c(C1c1cc(ccc1-c1ncccc1)F)cccc2)(=O)=O
SPLASH splash10-00di-0930000000-a2d12f8cc1438473e215
Source of Spectrum A1-16-2538/SMS4-3d
Wiley ID 1749504