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trans-6,7-dihydro-6-[(methylsulfonyl)oxy]-7-(3,4,5-trimethoxyphenyl)-5H-indeno[5,6-d]-1,3-dioxol-5-one
SpectraBase Compound ID 6qTLGvBrBap
InChI InChI=1S/C20H20O9S/c1-24-15-5-10(6-16(25-2)19(15)26-3)17-11-7-13-14(28-9-27-13)8-12(11)18(21)20(17)29-30(4,22)23/h5-8,17,20H,9H2,1-4H3/t17-,20+/m1/s1
InChIKey NUWRZWZOIYRYCY-XLIONFOSSA-N
Mol Weight 436.43 g/mol
Molecular Formula C20H20O9S
Exact Mass 436.082803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYJKS41HROc
Name trans-6,7-dihydro-6-[(methylsulfonyl)oxy]-7-(3,4,5-trimethoxyphenyl)-5H-indeno[5,6-d]-1,3-dioxol-5-one
CAS Registry Number 94706-18-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O9S
InChI InChI=1S/C20H20O9S/c1-24-15-5-10(6-16(25-2)19(15)26-3)17-11-7-13-14(28-9-27-13)8-12(11)18(21)20(17)29-30(4,22)23/h5-8,17,20H,9H2,1-4H3/t17-,20+/m1/s1
InChIKey NUWRZWZOIYRYCY-XLIONFOSSA-N
Molecular Weight 436.431 g/mol
SMILES c12c([C@@](c3cc(OC)c(c(c3)OC)OC)([C@@](C1=O)(OS(=O)(=O)C)[H])[H])cc1c(c2)OCO1
SPLASH splash10-0006-0009300000-d517402f768316abb48e
Source of Spectrum J-50-1103-76
Synonyms (6S,7R)-5-oxo-7-(3,4,5-trimethoxyphenyl)-6,7-dihydro-5H-indeno[5,6-d][1,3]dioxol-6-yl methanesulfonate
Wiley ID 1383399