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1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid, 7-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-4,5,6,7-tetrahydro-5-oxo-
SpectraBase Compound ID IuPySmsAeXH
InChI InChI=1S/C21H15ClN2O5/c22-12-2-1-3-13(7-12)24-9-15(21(26)27)19-20(24)14(8-18(25)23-19)11-4-5-16-17(6-11)29-10-28-16/h1-7,9,14H,8,10H2,(H,23,25)(H,26,27)
InChIKey RMSMNXCTABSEOB-UHFFFAOYSA-N
Mol Weight 410.81 g/mol
Molecular Formula C21H15ClN2O5
Exact Mass 410.066949 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7EPJbpsgFw5
Name 1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid, 7-(1,3-benzodioxol-5-yl)-1-(3-chlorophenyl)-4,5,6,7-tetrahydro-5-oxo-
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/C21H15ClN2O5/c22-12-2-1-3-13(7-12)24-9-15(21(26)27)19-20(24)14(8-18(25)23-19)11-4-5-16-17(6-11)29-10-28-16/h1-7,9,14H,8,10H2,(H,23,25)(H,26,27)
InChIKey RMSMNXCTABSEOB-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6360
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/18211608; Labnumber: 2316