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1,3-cyclobutanedicarboxylic acid, 2,4-diphenyl-, 1-(1-methylethyl)ester
SpectraBase Compound ID AjXxG1MkXTA
InChI InChI=1S/C21H22O4/c1-13(2)25-21(24)19-16(14-9-5-3-6-10-14)18(20(22)23)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3,(H,22,23)
InChIKey JPDDMZAETFWSGR-UHFFFAOYSA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IJAiHUUQEEF
Name 1,3-cyclobutanedicarboxylic acid, 2,4-diphenyl-, 1-(1-methylethyl)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 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-13(2)25-21(24)19-16(14-9-5-3-6-10-14)18(20(22)23)17(19)15-11-7-4-8-12-15/h3-13,16-19H,1-2H3,(H,22,23)
InChIKey JPDDMZAETFWSGR-UHFFFAOYSA-N
Molecular Weight 338.403 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3184
Solvent DMSO-d6
Source Vendor ID: NMR/9258618; Lab Info: *0647297*; Lab Number: BAS 0647297
Temperature 29.85 °C