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1-Hexyl-4-oxo-4-phenylbutyl Benzoate

View entire compound with spectra: 1 MS (GC)

1-Hexyl-4-oxo-4-phenylbutyl Benzoate
SpectraBase Compound ID 7cWTXVnBKvk
InChI InChI=1S/C23H28O3/c1-2-3-4-11-16-21(26-23(25)20-14-9-6-10-15-20)17-18-22(24)19-12-7-5-8-13-19/h5-10,12-15,21H,2-4,11,16-18H2,1H3
InChIKey MGNVMPUJNDOJSF-UHFFFAOYSA-N
Mol Weight 352.47 g/mol
Molecular Formula C23H28O3
Exact Mass 352.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9M4V6isCsmb
Name 1-Hexyl-4-oxo-4-phenylbutyl Benzoate
Alternate Name(s) 1-(3-oxo-3-phenylpropyl)heptyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O3
InChI InChI=1S/C23H28O3/c1-2-3-4-11-16-21(26-23(25)20-14-9-6-10-15-20)17-18-22(24)19-12-7-5-8-13-19/h5-10,12-15,21H,2-4,11,16-18H2,1H3
InChIKey MGNVMPUJNDOJSF-UHFFFAOYSA-N
Molecular Weight 352.474 g/mol
SMILES C(OC(CCC(=O)c1ccccc1)CCCCCC)(=O)c1ccccc1
SPLASH splash10-0a4i-1930000000-4e0f601e19d54928642f
Source of Spectrum J-61-7480-17
Wiley ID 1343658