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{ 2-Methyl-3-oxo-4,10-dioxatricyclo[5.2.1.0(2,6)]dec-1-y[}methyl p-toluenesulfonate
SpectraBase Compound ID GxVTPYdYy5O
InChI InChI=1S/C17H20O6S/c1-11-3-5-12(6-4-11)24(19,20)22-10-17-8-7-14(23-17)13-9-21-15(18)16(13,17)2/h3-6,13-14H,7-10H2,1-2H3
InChIKey CYCDDFMFKIBAHH-UHFFFAOYSA-N
Mol Weight 352.4 g/mol
Molecular Formula C17H20O6S
Exact Mass 352.09806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45Zrf1HX8LW
Name { 2-Methyl-3-oxo-4,10-dioxatricyclo[5.2.1.0(2,6)]dec-1-y[}methyl p-toluenesulfonate
Alternate Name(s) (2-methyl-3-oxo-4,10-dioxatricyclo[5.2.1.0(2,6)]dec-1-yl)methyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O6S
InChI InChI=1S/C17H20O6S/c1-11-3-5-12(6-4-11)24(19,20)22-10-17-8-7-14(23-17)13-9-21-15(18)16(13,17)2/h3-6,13-14H,7-10H2,1-2H3
InChIKey CYCDDFMFKIBAHH-UHFFFAOYSA-N
Molecular Weight 352.401 g/mol
SMILES C12(C3(OC(C2COC1=O)CC3)COS(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-0f8a-0903000000-a15d7efaf5c71fc15e0c
Source of Spectrum U1-1998-2491-28
Wiley ID 751969