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1-cyclohexene-1-acetic acid, alpha,2-dihydroxy-4,4-dimethyl-6-oxo-alpha-(trifluoromethyl)-, ethyl ester

View entire compound with spectra: 1 NMR

1-cyclohexene-1-acetic acid, alpha,2-dihydroxy-4,4-dimethyl-6-oxo-alpha-(trifluoromethyl)-, ethyl ester
SpectraBase Compound ID 9QbTD1teCEI
InChI InChI=1S/C13H17F3O5/c1-4-21-10(19)12(20,13(14,15)16)9-7(17)5-11(2,3)6-8(9)18/h17,20H,4-6H2,1-3H3
InChIKey HAPOWUNTJSPQJM-UHFFFAOYSA-N
Mol Weight 310.27 g/mol
Molecular Formula C13H17F3O5
Exact Mass 310.102808 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4P6ALXOgM8p
Name 1-cyclohexene-1-acetic acid, alpha,2-dihydroxy-4,4-dimethyl-6-oxo-alpha-(trifluoromethyl)-, ethyl 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 310.102808131 u
Formula C13H17F3O5
InChI InChI=1S/C13H17F3O5/c1-4-21-10(19)12(20,13(14,15)16)9-7(17)5-11(2,3)6-8(9)18/h17,20H,4-6H2,1-3H3
InChIKey HAPOWUNTJSPQJM-UHFFFAOYSA-N
Molecular Weight 310.269 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13082
Solvent DMSO-d6
Source Vendor ID: NMR/10301069; Lab Info: AU; Lab Number: AU-Z000540