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Ethyl {6,6-dimethyl-3-oxo-5[(phenylsulfinyl)methyl]bicyclo[2.2.1]hept-2-yl}acetate
SpectraBase Compound ID DAgkG0c6lgs
InChI InChI=1S/C20H26O4S/c1-4-24-18(21)11-15-16-10-14(19(15)22)17(20(16,2)3)12-25(23)13-8-6-5-7-9-13/h5-9,14-17H,4,10-12H2,1-3H3/t14-,15-,16-,17?,25?/m0/s1
InChIKey FEQLYRPWLFFHFJ-DBSVRBSESA-N
Mol Weight 362.48 g/mol
Molecular Formula C20H26O4S
Exact Mass 362.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcOumeL0VbU
Name Ethyl {6,6-dimethyl-3-oxo-5[(phenylsulfinyl)methyl]bicyclo[2.2.1]hept-2-yl}acetate
CAS Registry Number 126455-29-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O4S
InChI InChI=1S/C20H26O4S/c1-4-24-18(21)11-15-16-10-14(19(15)22)17(20(16,2)3)12-25(23)13-8-6-5-7-9-13/h5-9,14-17H,4,10-12H2,1-3H3/t14-,15-,16-,17?,25?/m0/s1
InChIKey FEQLYRPWLFFHFJ-DBSVRBSESA-N
Molecular Weight 362.484 g/mol
SMILES [C@@]12(C(C(CS(=O)c3ccccc3)[C@](C1)(C([C@]2(CC(=O)OCC)[H])=O)[H])(C)C)[H]
SPLASH splash10-0005-0900000000-ff22e0d70546197da87a
Source of Spectrum B-42-1483-22
Wiley ID 1349572