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Cyclooctaneacetic acid, 2-benzoyl-.alpha.-phenyl-
SpectraBase Compound ID 4rJSwDYUfWr
InChI InChI=1S/C23H26O3/c24-22(18-13-7-4-8-14-18)20-16-10-2-1-9-15-19(20)21(23(25)26)17-11-5-3-6-12-17/h3-8,11-14,19-21H,1-2,9-10,15-16H2,(H,25,26)
InChIKey VOHLJVMEIGCJRI-UHFFFAOYSA-N
Mol Weight 350.46 g/mol
Molecular Formula C23H26O3
Exact Mass 350.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mQ23jy9UXW
Name Cyclooctaneacetic acid, 2-benzoyl-.alpha.-phenyl-
Alternate Name(s) (2-benzoylcyclooctyl)(phenyl)acetic acid (trans-2-benzoylcyclooctyl)phenylessigsaure
CAS Registry Number 98386-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O3
InChI InChI=1S/C23H26O3/c24-22(18-13-7-4-8-14-18)20-16-10-2-1-9-15-19(20)21(23(25)26)17-11-5-3-6-12-17/h3-8,11-14,19-21H,1-2,9-10,15-16H2,(H,25,26)
InChIKey VOHLJVMEIGCJRI-UHFFFAOYSA-N
Molecular Weight 350.458 g/mol
SMILES OC(C(C1C(C(=O)c2ccccc2)CCCCCC1)c1ccccc1)=O
SPLASH splash10-0a4i-6901000000-11cc305a1520af882ec0
Source of Spectrum K-118-2965-17
Wiley ID 1342281