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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 sDmzQXOb4u
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 424.1548
SMILES C1C(C(OC)=O)C2CCC3(C)C(OS(=O)(=O)c4ccc(C)cc4)CCCC3(O2)O1
SPLASH splash10-0udi-9750000000-b45f6c3bd4122307b80d
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany