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

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

Benzoic acid 2-(4-chloro-phenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl ester
SpectraBase Compound ID 3TFzZrlkNKs
InChI InChI=1S/C21H19ClO4/c1-13-17(25-20(24)15-7-5-4-6-8-15)21(2,3)18(26-19(13)23)14-9-11-16(22)12-10-14/h4-12,18H,1-3H3
InChIKey ZMAXBBYQEMBHRA-UHFFFAOYSA-N
Mol Weight 370.83 g/mol
Molecular Formula C21H19ClO4
Exact Mass 370.097187 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bpjp70PKoQc
Name 2H-pyran-2-one, 4-(benzoyloxy)-6-(4-chlorophenyl)-5,6-dihydro-3,5,5-trimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.097186788 u
Formula C21H19ClO4
InChI InChI=1S/C21H19ClO4/c1-13-17(25-20(24)15-7-5-4-6-8-15)21(2,3)18(26-19(13)23)14-9-11-16(22)12-10-14/h4-12,18H,1-3H3
InChIKey ZMAXBBYQEMBHRA-UHFFFAOYSA-N
Molecular Weight 370.832 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11316
Solvent DMSO-d6
Source Vendor ID: NMR/10261277; Lab Info: GEI; Lab Number: GEI-SHEP106