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di[1,2,4]triazolo[4,3-a:1,5-c]quinazoline-3-butanamide, N-[(4-chlorophenyl)methyl]-10-phenyl-
SpectraBase Compound ID BSPP3ki9Hk5
InChI InChI=1S/C27H22ClN7O/c28-20-15-13-18(14-16-20)17-29-24(36)12-6-11-23-31-32-27-34(23)22-10-5-4-9-21(22)26-30-25(33-35(26)27)19-7-2-1-3-8-19/h1-5,7-10,13-16H,6,11-12,17H2,(H,29,36)
InChIKey ASIRDXYUSGBAKP-UHFFFAOYSA-N
Mol Weight 495.97 g/mol
Molecular Formula C27H22ClN7O
Exact Mass 495.157436 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5qhJ6pnmrZz
Name di[1,2,4]triazolo[4,3-a:1,5-c]quinazoline-3-butanamide, N-[(4-chlorophenyl)methyl]-10-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 495.157436055 u
Formula C27H22ClN7O
InChI InChI=1S/C27H22ClN7O/c28-20-15-13-18(14-16-20)17-29-24(36)12-6-11-23-31-32-27-34(23)22-10-5-4-9-21(22)26-30-25(33-35(26)27)19-7-2-1-3-8-19/h1-5,7-10,13-16H,6,11-12,17H2,(H,29,36)
InChIKey ASIRDXYUSGBAKP-UHFFFAOYSA-N
Molecular Weight 495.974 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4593
Solvent DMSO-d6
Source Vendor ID: NMR/13288232