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3-{4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-10-yl}-N-[2-(1H-indol-3-yl)ethyl]benzamide
SpectraBase Compound ID JwenmN1ziWs
InChI InChI=1S/C28H25ClN4O3/c1-28-15-24(22-14-19(29)9-10-25(22)36-28)32-27(35)33(28)20-6-4-5-17(13-20)26(34)30-12-11-18-16-31-23-8-3-2-7-21(18)23/h2-10,13-14,16,24,31H,11-12,15H2,1H3,(H,30,34)(H,32,35)
InChIKey DHVGRBJWNFPSNS-UHFFFAOYSA-N
Mol Weight 500.99 g/mol
Molecular Formula C28H25ClN4O3
Exact Mass 500.161518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8fwJRAyXOem
Name 3-{4-chloro-9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-10-yl}-N-[2-(1H-indol-3-yl)ethyl]benzamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.161518378 u
Formula C28H25ClN4O3
InChI InChI=1S/C28H25ClN4O3/c1-28-15-24(22-14-19(29)9-10-25(22)36-28)32-27(35)33(28)20-6-4-5-17(13-20)26(34)30-12-11-18-16-31-23-8-3-2-7-21(18)23/h2-10,13-14,16,24,31H,11-12,15H2,1H3,(H,30,34)(H,32,35)
InChIKey DHVGRBJWNFPSNS-UHFFFAOYSA-N
Molecular Weight 500.986 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_5368
Solvent DMSO-d6
Source Vendor ID: NMR/12319030