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Octanoic acid, 6-oxo-8-phenyl-, phenyl ester

View entire compound with spectra: 2 MS (GC)

Octanoic acid, 6-oxo-8-phenyl-, phenyl ester
SpectraBase Compound ID 6PaEFFmDgJ6
InChI InChI=1S/C20H22O3/c21-18(16-15-17-9-3-1-4-10-17)11-7-8-14-20(22)23-19-12-5-2-6-13-19/h1-6,9-10,12-13H,7-8,11,14-16H2
InChIKey FDCHMAXLZUBNIH-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Abjj8Fd3s9E
Name OCTANOIC ACID, 6-OXO-8-PHENYL-, PHENYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H22O3
InChI InChI=1S/C20H22O3/c21-18(16-15-17-9-3-1-4-10-17)11-7-8-14-20(22)23-19-12-5-2-6-13-19/h1-6,9-10,12-13H,7-8,11,14-16H2
InChIKey FDCHMAXLZUBNIH-UHFFFAOYSA-N
Molecular Weight 310.1563
SMILES c1cccc(CCC(CCCCC(=O)Oc2ccccc2)=O)c1
SPLASH splash10-0006-9520000000-ebff13d06d04341bfa3e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany