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Benzoic acid, 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl ester

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

Benzoic acid, 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl ester
SpectraBase Compound ID CHDjIjEE9ZX
InChI InChI=1S/C21H20O4/c1-14-17(24-20(23)16-12-8-5-9-13-16)21(2,3)18(25-19(14)22)15-10-6-4-7-11-15/h4-13,18H,1-3H3
InChIKey UXXMZHQXFIACTH-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AY1FRNuylnd
Name 2H-pyran-2-one, 4-(benzoyloxy)-5,6-dihydro-3,5,5-trimethyl-6-phenyl-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.136159120 u
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-14-17(24-20(23)16-12-8-5-9-13-16)21(2,3)18(25-19(14)22)15-10-6-4-7-11-15/h4-13,18H,1-3H3
InChIKey UXXMZHQXFIACTH-UHFFFAOYSA-N
Molecular Weight 336.387 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7383
Solvent DMSO-d6
Source Vendor ID: NMR/10230167; Lab Info: GEI; Lab Number: GEI-SHEP074
Temperature 23.85 °C