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

*Links on SpectraBase are not permalinks.
1,2,4-Tris(4-methoxyphenyl)-3-propylbutan-1,4-dione
SpectraBase Compound ID 59OoCndY56M
InChI InChI=1S/C28H30O5/c1-5-6-25(27(29)20-9-15-23(32-3)16-10-20)26(19-7-13-22(31-2)14-8-19)28(30)21-11-17-24(33-4)18-12-21/h7-18,25-26H,5-6H2,1-4H3
InChIKey VSDUVJJMRHNQQH-UHFFFAOYSA-N
Mol Weight 446.54 g/mol
Molecular Formula C28H30O5
Exact Mass 446.209324 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 3VywMCrglzx
Name 1,2,4-Tris(4-methoxyphenyl)-3-propylbutan-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O5
InChI InChI=1S/C28H30O5/c1-5-6-25(27(29)20-9-15-23(32-3)16-10-20)26(19-7-13-22(31-2)14-8-19)28(30)21-11-17-24(33-4)18-12-21/h7-18,25-26H,5-6H2,1-4H3
InChIKey VSDUVJJMRHNQQH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201100283
Molecular Weight 446.543 g/mol
SMILES C(c1ccc(cc1)OC)(C(C(CCC)C(c1ccc(cc1)OC)=O)c1ccc(cc1)OC)=O
SPLASH splash10-000i-0900000000-8b4bacbc365c75c9e834
Source of Spectrum CMC-6-2055/SM4-3b
Synonyms 1,2,4-tris(4-methoxyphenyl)-3-propylbutane-1,4-dione
Wiley ID 1771738