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(2S,11bR)-9,10-dimethoxy-2-phenyl-2,6,7,11b-tetrahydro-1H-oxathiazino[4,3-a]isoquinoline 4,4-dioxide
SpectraBase Compound ID CmNd7IhFdTS
InChI InChI=1S/C19H21NO5S/c1-23-18-10-14-8-9-20-16(15(14)11-19(18)24-2)12-17(25-26(20,21)22)13-6-4-3-5-7-13/h3-7,10-11,16-17H,8-9,12H2,1-2H3/t16-,17+/m1/s1
InChIKey LNSOGLMRPRBKJS-SJORKVTESA-N
Mol Weight 375.44 g/mol
Molecular Formula C19H21NO5S
Exact Mass 375.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vq3Dh2YnRL
Name (2S,11bR)-9,10-dimethoxy-2-phenyl-2,6,7,11b-tetrahydro-1H-oxathiazino[4,3-a]isoquinoline 4,4-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO5S
InChI InChI=1S/C19H21NO5S/c1-23-18-10-14-8-9-20-16(15(14)11-19(18)24-2)12-17(25-26(20,21)22)13-6-4-3-5-7-13/h3-7,10-11,16-17H,8-9,12H2,1-2H3/t16-,17+/m1/s1
InChIKey LNSOGLMRPRBKJS-SJORKVTESA-N
Molecular Weight 375.439 g/mol
SMILES c1(cc2c(cc1OC)[C@@]1(N(CC2)S(O[C@@](C1)(c1ccccc1)[H])(=O)=O)[H])OC
SPLASH splash10-004i-0219000000-714199e7c178434faea8
Source of Spectrum RCM-22-1521-9
Synonyms (2S,11bR)-9,10-dimethoxy-2-phenyl-1,6,7,11b-tetrahydro-2H-[1,2,3]oxathiazino[4,3-a]isoquinoline 4,4-dioxide
Wiley ID 1814463