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6,7-Methylenedioxy-9-(3,4,5-trimethoxyphenyl)-1,3,3a,10-tetrahydro-9H-1-(N-Tritylamino)oxazolo[4,3-b][1,3]benzothiazine
SpectraBase Compound ID AWbUM4J92ba
InChI InChI=1S/C39H34N2O6S/c1-42-32-19-25(20-33(43-2)37(32)44-3)36-29-21-30-31(47-24-46-30)22-34(29)48-35-23-45-38(41(35)36)40-39(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-22,35-36H,23-24H2,1-3H3/b40-38-
InChIKey VIXFIVUDEFHSLL-QMRMMQACSA-N
Mol Weight 658.8 g/mol
Molecular Formula C39H34N2O6S
Exact Mass 658.213758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CK0tfKVFQOJ
Name 6,7-Methylenedioxy-9-(3,4,5-trimethoxyphenyl)-1,3,3a,10-tetrahydro-9H-1-(N-Tritylamino)oxazolo[4,3-b][1,3]benzothiazine
Alternate Name(s) 6,7-Methylenedioxy-9-(3,4,5-trimethoxyphenyl)-1,3,3a,10-tetrahydro-9H-1-(N-Tritylimino)oxazolo[4,3-b][1,3]benzothiazine
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Formula C39H34N2O6S
InChI InChI=1S/C39H34N2O6S/c1-42-32-19-25(20-33(43-2)37(32)44-3)36-29-21-30-31(47-24-46-30)22-34(29)48-35-23-45-38(41(35)36)40-39(26-13-7-4-8-14-26,27-15-9-5-10-16-27)28-17-11-6-12-18-28/h4-22,35-36H,23-24H2,1-3H3/b40-38-
InChIKey VIXFIVUDEFHSLL-QMRMMQACSA-N
Molecular Weight 658.769 g/mol
SMILES C(\N=C\1N2C(CO1)Sc1cc3OCOc3cc1C2c1cc(OC)c(c(c1)OC)OC)(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-014i-0331900000-c57006030d0111cc82c5
Source of Spectrum KC-0-1387-17
Wiley ID 783798