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rac-6,6-Dimethyl-3-(diphenylmethoxycarbonylmethyl)-5-oxoheptanoic acid
SpectraBase Compound ID g7DeIznC9A
InChI InChI=1S/C24H28O5/c1-24(2,3)20(25)14-17(15-21(26)27)16-22(28)29-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,23H,14-16H2,1-3H3,(H,26,27)
InChIKey RVXPYXMSCONBMK-UHFFFAOYSA-N
Mol Weight 396.48 g/mol
Molecular Formula C24H28O5
Exact Mass 396.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJR9rQvGZpa
Name rac-6,6-Dimethyl-3-(diphenylmethoxycarbonylmethyl)-5-oxoheptanoic acid
Alternate Name(s) 3-[2-(benzhydryloxy)-2-oxoethyl]-6,6-dimethyl-5-oxoheptanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O5
InChI InChI=1S/C24H28O5/c1-24(2,3)20(25)14-17(15-21(26)27)16-22(28)29-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,23H,14-16H2,1-3H3,(H,26,27)
InChIKey RVXPYXMSCONBMK-UHFFFAOYSA-N
Molecular Weight 396.483 g/mol
SMILES OC(CC(CC(C(C)(C)C)=O)CC(OC(c1ccccc1)c1ccccc1)=O)=O
SPLASH splash10-014i-1930000000-3390f4d96584d4e21c0b
Source of Spectrum F-52-14596-34
Wiley ID 799657