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4-Methyl-2-(2-oxo-4-trifluoromethyl-2H-chromen-7-yloxy)-pentanoic acid methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LjfpdeujEqn
Name pentanoic acid, 4-methyl-2-[[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.102808131 u
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
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11162
Solvent DMSO-d6
Source Vendor ID: NMR/10251609; Lab Info: POD; Lab Number: POD-BP00002