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4-isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, 4-(1-oxobutyl)phenyl ester
SpectraBase Compound ID LZY3XSSAvDp
InChI InChI=1S/C21H18ClNO4/c1-3-6-18(24)14-9-11-15(12-10-14)26-21(25)19-13(2)27-23-20(19)16-7-4-5-8-17(16)22/h4-5,7-12H,3,6H2,1-2H3
InChIKey HBZGSPONDFRXBO-UHFFFAOYSA-N
Mol Weight 383.83 g/mol
Molecular Formula C21H18ClNO4
Exact Mass 383.092436 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GOOBcvRwdCg
Name 4-isoxazolecarboxylic acid, 3-(2-chlorophenyl)-5-methyl-, 4-(1-oxobutyl)phenyl ester
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/C21H18ClNO4/c1-3-6-18(24)14-9-11-15(12-10-14)26-21(25)19-13(2)27-23-20(19)16-7-4-5-8-17(16)22/h4-5,7-12H,3,6H2,1-2H3
InChIKey HBZGSPONDFRXBO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6668
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/12219973