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1H-pyrrole-1-propanoic acid, 2-(1,3-benzodioxol-5-yl)-2,5-dihydro-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-

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1H-pyrrole-1-propanoic acid, 2-(1,3-benzodioxol-5-yl)-2,5-dihydro-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-
SpectraBase Compound ID 9EGGh7vGDOn
InChI InChI=1S/C22H19NO7/c1-12-2-4-13(5-3-12)20(26)18-19(14-6-7-15-16(10-14)30-11-29-15)23(9-8-17(24)25)22(28)21(18)27/h2-7,10,19,27H,8-9,11H2,1H3,(H,24,25)
InChIKey RSXRLRXBDNQTMY-UHFFFAOYSA-N
Mol Weight 409.39 g/mol
Molecular Formula C22H19NO7
Exact Mass 409.116152 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9L1o9imN3nW
Name 1H-pyrrole-1-propanoic acid, 2-(1,3-benzodioxol-5-yl)-2,5-dihydro-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.116151949 u
Formula C22H19NO7
InChI InChI=1S/C22H19NO7/c1-12-2-4-13(5-3-12)20(26)18-19(14-6-7-15-16(10-14)30-11-29-15)23(9-8-17(24)25)22(28)21(18)27/h2-7,10,19,27H,8-9,11H2,1H3,(H,24,25)
InChIKey RSXRLRXBDNQTMY-UHFFFAOYSA-N
Molecular Weight 409.394 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5913
Solvent DMSO-d6
Source Vendor ID: ZI/9063600; Lab Info: GEI; Lab Number: GEI-G006808