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benzeneacetic acid, alpha,4-dihydroxy-2-methyl-5-(1-methylethyl)-alpha-(trifluoromethyl)-, methyl ester

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benzeneacetic acid, alpha,4-dihydroxy-2-methyl-5-(1-methylethyl)-alpha-(trifluoromethyl)-, methyl ester
SpectraBase Compound ID 9wITSEhkk2H
InChI InChI=1S/C14H17F3O4/c1-7(2)9-6-10(8(3)5-11(9)18)13(20,12(19)21-4)14(15,16)17/h5-7,18,20H,1-4H3
InChIKey KLUDYEDVPCSAFS-UHFFFAOYSA-N
Mol Weight 306.28 g/mol
Molecular Formula C14H17F3O4
Exact Mass 306.107894 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IVAsmRyV2Zl
Name benzeneacetic acid, alpha,4-dihydroxy-2-methyl-5-(1-methylethyl)-alpha-(trifluoromethyl)-, 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 306.107893512 u
Formula C14H17F3O4
InChI InChI=1S/C14H17F3O4/c1-7(2)9-6-10(8(3)5-11(9)18)13(20,12(19)21-4)14(15,16)17/h5-7,18,20H,1-4H3
InChIKey KLUDYEDVPCSAFS-UHFFFAOYSA-N
Molecular Weight 306.281 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17385
Solvent DMSO-d6
Source Vendor ID: ZI/10036769; Lab Info: DYA; Lab Number: DYA-0000168