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

*Links on SpectraBase are not permalinks.
3-[1-(4-Chlorophenyl)-3-oxobutyl]-2-oxo-2H-chromen-4-yl 2-isopropyl-5-methylcyclohexyl carbonate
SpectraBase Compound ID ARytj0GxjOp
InChI InChI=1S/C30H33ClO6/c1-17(2)22-14-9-18(3)15-26(22)36-30(34)37-28-23-7-5-6-8-25(23)35-29(33)27(28)24(16-19(4)32)20-10-12-21(31)13-11-20/h5-8,10-13,17-18,22,24,26H,9,14-16H2,1-4H3
InChIKey DFEKLJOGUPRZDV-UHFFFAOYSA-N
Mol Weight 525.0 g/mol
Molecular Formula C30H33ClO6
Exact Mass 524.196566 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 703Kbd7c6Jk
Name 3-[1-(4-Chlorophenyl)-3-oxobutyl]-2-oxo-2H-chromen-4-yl 2-isopropyl-5-methylcyclohexyl carbonate
CAS Registry Number 95041-44-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H33ClO6
InChI InChI=1S/C30H33ClO6/c1-17(2)22-14-9-18(3)15-26(22)36-30(34)37-28-23-7-5-6-8-25(23)35-29(33)27(28)24(16-19(4)32)20-10-12-21(31)13-11-20/h5-8,10-13,17-18,22,24,26H,9,14-16H2,1-4H3
InChIKey DFEKLJOGUPRZDV-UHFFFAOYSA-N
Molecular Weight 525.041 g/mol
SMILES CC1CCC(C(C1)OC(=O)OC=1c2ccccc2OC(C1C(CC(C)=O)c1ccc(cc1)Cl)=O)C(C)C
SPLASH splash10-053u-9000000000-b60d8f5a4810650c8efa
Source of Spectrum O-21-813-3
Synonyms 2-Isopropyl-5-methylcyclohexyl 3-(1-(4-chlorophenyl)-3-oxobutyl)-coumarin-4-yl carbonate Carbonic acid [3-[1-(4-chlorophenyl)-3-oxobutyl]-2-oxo-1-benzopyran-4-yl] (5-methyl-2-propan-2-ylcyclohexyl) ester [3-[1-(4-chlorophenyl)-3-oxobutyl]-2-oxochromen-4-yl] (5-methyl-2-propan-2-ylcyclohexyl) carbonate [3-[1-(4-chlorophenyl)-3-oxo-butyl]-2-oxo-chromen-4-yl] (2-isopropyl-5-methyl-cyclohexyl) carbonate [3-[1-(4-chlorophenyl)-3-oxidanylidene-butyl]-2-oxidanylidene-chromen-4-yl] (5-methyl-2-propan-2-yl-cyclohexyl) carbonate
Wiley ID 1402588