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2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl benzoate

View entire compound with spectra: 2 NMR

2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl benzoate
SpectraBase Compound ID AJ3uHahMa6V
InChI InChI=1S/C21H19BrO4/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 CTGVFOIXEATLQC-UHFFFAOYSA-N
Mol Weight 415.28 g/mol
Molecular Formula C21H19BrO4
Exact Mass 414.046672 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JPxY9IkAKCa
Name 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H19BrO4/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 CTGVFOIXEATLQC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5038
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/10322130; Labnumber: GEI-SHE0147; IOH_ID: IOH-005039