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4-(2-(pyridin-2-yl)tetradeuterophenyl)-3,4-dihydrobenzo[e][1,2,3]oxathiazine 2,2-dioxide
SpectraBase Compound ID 9FBouF4BB4L
InChI InChI=1S/C18H14N2O3S/c21-24(22)20-18(15-9-3-4-11-17(15)23-24)14-8-2-1-7-13(14)16-10-5-6-12-19-16/h1-12,18,20H/i1D,2D,7D,8D
InChIKey BOPULZMLDQKTRU-LZKVNSRZSA-N
Mol Weight 342.41 g/mol
Molecular Formula C18H10D4N2O3S
Exact Mass 342.09762 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUqbWF7VGbb
Name 4-(2-(pyridin-2-yl)tetradeuterophenyl)-3,4-dihydrobenzo[e][1,2,3]oxathiazine 2,2-dioxide
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Formula C18H10D4N2O3S
InChI InChI=1S/C18H14N2O3S/c21-24(22)20-18(15-9-3-4-11-17(15)23-24)14-8-2-1-7-13(14)16-10-5-6-12-19-16/h1-12,18,20H/i1D,2D,7D,8D
InChIKey BOPULZMLDQKTRU-LZKVNSRZSA-N
Literature Reference DOI 10.1021/ol500918t
Molecular Weight 342.405 g/mol
SMILES N1S(Oc2c(C1c1c(c(c(c(c1[D])[D])[D])[D])-c1ccccn1)cccc2)(=O)=O
SPLASH splash10-00fr-0290000000-cf4a417c5112fa740989
Source of Spectrum A1-16-2538/SMS9-3a_D4
Wiley ID 1749500