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(trans-2-benzoylcyclooctyl)phenylessigsaure-methylester
SpectraBase Compound ID EgXgaSCp8C0
InChI InChI=1S/C24H28O3/c1-27-23(25)17-18-13-15-19(16-14-18)21-11-7-2-3-8-12-22(21)24(26)20-9-5-4-6-10-20/h4-6,9-10,13-16,21-22H,2-3,7-8,11-12,17H2,1H3/t21-,22+/m0/s1
InChIKey FTUNQWHBUAUEDV-FCHUYYIVSA-N
Mol Weight 364.49 g/mol
Molecular Formula C24H28O3
Exact Mass 364.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOo4uFshwz
Name (trans-2-benzoylcyclooctyl)phenylessigsaure-methylester
Alternate Name(s) Methyl {4-[(1R,2R)-2-benzoylcyclooctyl]phenyl}acetate
CAS Registry Number 98463-91-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O3
InChI InChI=1S/C24H28O3/c1-27-23(25)17-18-13-15-19(16-14-18)21-11-7-2-3-8-12-22(21)24(26)20-9-5-4-6-10-20/h4-6,9-10,13-16,21-22H,2-3,7-8,11-12,17H2,1H3/t21-,22+/m0/s1
InChIKey FTUNQWHBUAUEDV-FCHUYYIVSA-N
Molecular Weight 364.485 g/mol
SMILES C([C@]1([C@](c2ccc(CC(=O)OC)cc2)(CCCCCC1)[H])[H])(=O)c1ccccc1
SPLASH splash10-0a4i-4903000000-27120a7e287682483bce
Source of Spectrum K-118-2964-18
Wiley ID 1351142