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12,13-Dioxatricyclo[7.3.1.0(1,6)]tridecane, 10-methoxycarbonyl-5-(4-methylphenylsulfonyloxy)-6-methyl-
SpectraBase Compound ID 5QvZHzE5Hsd
InChI InChI=1S/C21H28O7S/c1-14-6-8-15(9-7-14)29(23,24)28-18-5-4-11-21-20(18,2)12-10-17(27-21)16(13-26-21)19(22)25-3/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKey XDAFGQDQFUBYDU-UHFFFAOYSA-N
Mol Weight 424.51 g/mol
Molecular Formula C21H28O7S
Exact Mass 424.155574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1UHarCP3Ev5
Name 12,13-Dioxatricyclo[7.3.1.0(1,6)]tridecane, 10-methoxycarbonyl-5-(4-methylphenylsulfonyloxy)-6-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O7S
InChI InChI=1S/C21H28O7S/c1-14-6-8-15(9-7-14)29(23,24)28-18-5-4-11-21-20(18,2)12-10-17(27-21)16(13-26-21)19(22)25-3/h6-9,16-18H,4-5,10-13H2,1-3H3
InChIKey XDAFGQDQFUBYDU-UHFFFAOYSA-N
Molecular Weight 424.508 g/mol
SMILES C1OC23OC(C1C(=O)OC)CCC3(C(CCC2)OS(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-0udi-9750000000-5e9383868a7a048ec4b3
Wiley ID 1478012