For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(3,5-DIBENZYLOXYPHENYL)-2-METHYLHEPTANE-3,5-DIONE
SpectraBase Compound ID JMS5vnVGgzw
InChI InChI=1S/C28H30O4/c1-3-25(29)17-28(30)21(2)14-24-15-26(31-19-22-10-6-4-7-11-22)18-27(16-24)32-20-23-12-8-5-9-13-23/h4-13,15-16,18,21H,3,14,17,19-20H2,1-2H3
InChIKey RBCWEUNYUGJMLG-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5ngiRGLtRcQ
Name 1-(3,5-dibenzoxyphenyl)-2-methyl-heptane-3,5-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-3-25(29)17-28(30)21(2)14-24-15-26(31-19-22-10-6-4-7-11-22)18-27(16-24)32-20-23-12-8-5-9-13-23/h4-13,15-16,18,21H,3,14,17,19-20H2,1-2H3
InChIKey RBCWEUNYUGJMLG-UHFFFAOYSA-N
Molecular Weight 430.544 g/mol
SMILES C(CC(=O)CC)(C(Cc1cc(OCc2ccccc2)cc(c1)OCc1ccccc1)C)=O
SPLASH splash10-0006-9000000000-f2bf16b3c92f47867442
Source of Spectrum KC-0-2607-11
Synonyms 1-[3,5-bis(phenylmethoxy)phenyl]-2-methyl-heptane-3,5-dione 1-[3,5-bis(phenylmethoxy)phenyl]-2-methylheptane-3,5-dione
Wiley ID 786749