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6-Bromo-4-[2-(pyridin-2-yl)phenyl]-3,4-dihydrobenzo[e][1,2,3]oxathiazine 2,2-dioxide
SpectraBase Compound ID 3KOde67y6Uc
InChI InChI=1S/C18H13BrN2O3S/c19-12-8-9-17-15(11-12)18(21-25(22,23)24-17)14-6-2-1-5-13(14)16-7-3-4-10-20-16/h1-11,18,21H
InChIKey CEHVFRUCZHKPNI-UHFFFAOYSA-N
Mol Weight 417.28 g/mol
Molecular Formula C18H13BrN2O3S
Exact Mass 415.983026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IIPbpMkovl
Name 6-Bromo-4-[2-(pyridin-2-yl)phenyl]-3,4-dihydrobenzo[e][1,2,3]oxathiazine 2,2-dioxide
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Formula C18H13BrN2O3S
InChI InChI=1S/C18H13BrN2O3S/c19-12-8-9-17-15(11-12)18(21-25(22,23)24-17)14-6-2-1-5-13(14)16-7-3-4-10-20-16/h1-11,18,21H
InChIKey CEHVFRUCZHKPNI-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol500918t
Molecular Weight 417.277 g/mol
SMILES N1C(c2cc(ccc2OS1(=O)=O)Br)c1c(cccc1)-c1ccccn1
SPLASH splash10-0udi-0339000000-f8aeb4d7b965c7860118
Source of Spectrum A1-16-2538/SMS9-3t
Wiley ID 1749518