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

*Links on SpectraBase are not permalinks.
3-(4-bromobenzyl)-6-(4-chlorophenyl)-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione
SpectraBase Compound ID FWkO0uAjGI8
InChI InChI=1S/C21H20BrClO3/c1-20(2)17(14-6-10-16(23)11-7-14)26-19(25)21(3,18(20)24)12-13-4-8-15(22)9-5-13/h4-11,17H,12H2,1-3H3
InChIKey BYYFUQKQRQJWGX-UHFFFAOYSA-N
Mol Weight 435.75 g/mol
Molecular Formula C21H20BrClO3
Exact Mass 434.028435 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 9sSqaQ8X0mW
Name 3-(4-bromobenzyl)-6-(4-chlorophenyl)-3,5,5-trimethyl-tetrahydropyran-2,4-quinone
Alternate Name(s) 3-(4-Bromobenzyl)-6-(4-chlorophenyl)-3,5,5-trimethyldihydro-2H-pyran-2,4(3H)-dione 3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyl-oxane-2,4-dione 3-[(4-bromophenyl)methyl]-6-(4-chlorophenyl)-3,5,5-trimethyl-tetrahydropyran-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20BrClO3
InChI InChI=1S/C21H20BrClO3/c1-20(2)17(14-6-10-16(23)11-7-14)26-19(25)21(3,18(20)24)12-13-4-8-15(22)9-5-13/h4-11,17H,12H2,1-3H3
InChIKey BYYFUQKQRQJWGX-UHFFFAOYSA-N
Molecular Weight 435.745 g/mol
SMILES C1(C(C(C)(C)C(OC1=O)c1ccc(cc1)Cl)=O)(Cc1ccc(cc1)Br)C
SPLASH splash10-00xs-2960000000-194a8d2166a3a1801bbe
Wiley ID 1464587