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1-Methyl-3-[2-(p-tosyloxy)-1-benzoyloxyethyl]bicyclo[3.3.0]octane-7-one
SpectraBase Compound ID 4E7ZcrPKODb
InChI InChI=1S/C25H28O6S/c1-17-8-10-22(11-9-17)32(28,29)30-16-23(31-24(27)18-6-4-3-5-7-18)19-12-20-13-21(26)15-25(20,2)14-19/h3-11,19-20,23H,12-16H2,1-2H3
InChIKey NNYBOPLIGGYGRI-UHFFFAOYSA-N
Mol Weight 456.55 g/mol
Molecular Formula C25H28O6S
Exact Mass 456.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HybBophdaCv
Name 1-Methyl-3-[2-(p-tosyloxy)-1-benzoyloxyethyl]bicyclo[3.3.0]octane-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O6S
InChI InChI=1S/C25H28O6S/c1-17-8-10-22(11-9-17)32(28,29)30-16-23(31-24(27)18-6-4-3-5-7-18)19-12-20-13-21(26)15-25(20,2)14-19/h3-11,19-20,23H,12-16H2,1-2H3
InChIKey NNYBOPLIGGYGRI-UHFFFAOYSA-N
Molecular Weight 456.553 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C(OC(=O)c1ccccc1)C1CC2(CC(CC2C1)=O)C
SPLASH splash10-0a6r-4900000000-e80acb8507a74c246dd5
Source of Spectrum F-66-5260-28
Wiley ID 1683412