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acetic acid, [4-[3-acetyl-2,5-dihydro-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-1H-pyrrol-1-yl]phenoxy]-
SpectraBase Compound ID 5Rq3tjC1HRG
InChI InChI=1S/C21H19NO7/c1-12(23)18-19(13-4-3-5-16(10-13)28-2)22(21(27)20(18)26)14-6-8-15(9-7-14)29-11-17(24)25/h3-10,19,26H,11H2,1-2H3,(H,24,25)
InChIKey BKQOPOZQZBZWGQ-UHFFFAOYSA-N
Mol Weight 397.38 g/mol
Molecular Formula C21H19NO7
Exact Mass 397.116152 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 27jJDqqDIMb
Name acetic acid, [4-[3-acetyl-2,5-dihydro-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-1H-pyrrol-1-yl]phenoxy]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.116151949 u
Formula C21H19NO7
InChI InChI=1S/C21H19NO7/c1-12(23)18-19(13-4-3-5-16(10-13)28-2)22(21(27)20(18)26)14-6-8-15(9-7-14)29-11-17(24)25/h3-10,19,26H,11H2,1-2H3,(H,24,25)
InChIKey BKQOPOZQZBZWGQ-UHFFFAOYSA-N
Molecular Weight 397.383 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18109
Solvent DMSO-d6
Source Vendor ID: NMR/11240388; Lab Info: GEI; Lab Number: GEI-G008029