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4-chloro-9-methyl-10-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-11-one

View entire compound with spectra: 1 NMR

4-chloro-9-methyl-10-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-11-one
SpectraBase Compound ID B0lGnDiXMfb
InChI InChI=1S/C28H27ClN4O3/c1-28-18-24(23-17-20(29)9-12-25(23)36-28)30-27(35)33(28)22-10-7-19(8-11-22)26(34)32-15-13-31(14-16-32)21-5-3-2-4-6-21/h2-12,17,24H,13-16,18H2,1H3,(H,30,35)
InChIKey GGEMDIALSLTEOR-UHFFFAOYSA-N
Mol Weight 503.0 g/mol
Molecular Formula C28H27ClN4O3
Exact Mass 502.177168 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JApg1QIutCe
Name 4-chloro-9-methyl-10-[4-(4-phenylpiperazine-1-carbonyl)phenyl]-8-oxa-10,12-diazatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-11-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.177168442 u
Formula C28H27ClN4O3
InChI InChI=1S/C28H27ClN4O3/c1-28-18-24(23-17-20(29)9-12-25(23)36-28)30-27(35)33(28)22-10-7-19(8-11-22)26(34)32-15-13-31(14-16-32)21-5-3-2-4-6-21/h2-12,17,24H,13-16,18H2,1H3,(H,30,35)
InChIKey GGEMDIALSLTEOR-UHFFFAOYSA-N
Molecular Weight 503.002 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_52
Solvent DMSO-d6
Source Vendor ID: NMR/13238403