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

*Links on SpectraBase are not permalinks.
4-Methyl-2-(2-oxo-4-trifluoromethyl-2H-chromen-7-yloxy)-pentanoic acid methyl ester
SpectraBase Compound ID 3nxO7s0TueI
InChI InChI=1S/C17H17F3O5/c1-9(2)6-14(16(22)23-3)24-10-4-5-11-12(17(18,19)20)8-15(21)25-13(11)7-10/h4-5,7-9,14H,6H2,1-3H3
InChIKey MMJPZEQZIUAELY-UHFFFAOYSA-N
Mol Weight 358.31 g/mol
Molecular Formula C17H17F3O5
Exact Mass 358.102808 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 9MCzmFc4zCO
Name 4-Methyl-2-(2-oxo-4-trifluoromethyl-2H-chromen-7-yloxy)-pentanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17F3O5
InChI InChI=1S/C17H17F3O5/c1-9(2)6-14(16(22)23-3)24-10-4-5-11-12(17(18,19)20)8-15(21)25-13(11)7-10/h4-5,7-9,14H,6H2,1-3H3
InChIKey MMJPZEQZIUAELY-UHFFFAOYSA-N
Molecular Weight 358.313 g/mol
SMILES C=1(C(F)(F)F)c2c(cc(OC(C(=O)OC)CC(C)C)cc2)OC(C1)=O
SPLASH splash10-0kus-7492000000-613ac8e18fefe5ff028e
Synonyms 2-[2-keto-4-(trifluoromethyl)chromen-7-yl]oxy-4-methyl-valeric acid methyl ester 4-Methyl-2-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]oxy]pentanoic acid methyl ester Methyl 4-methyl-2-([2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]oxy)pentanoate Methyl 4-methyl-2-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]oxy-pentanoate Methyl 4-methyl-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxy-pentanoate
Wiley ID 1460008