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benzoic acid, 4-(2-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-6-nitro-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
SpectraBase Compound ID 82IZ78TkddE
InChI InChI=1S/C29H29N5O6/c1-3-40-29(36)20-7-9-21(10-8-20)33-27(30-26-12-11-23(34(37)38)18-25(26)28(33)35)19-31-13-15-32(16-14-31)22-5-4-6-24(17-22)39-2/h4-12,17-18H,3,13-16,19H2,1-2H3
InChIKey JSLXNLASPADWEQ-UHFFFAOYSA-N
Mol Weight 543.58 g/mol
Molecular Formula C29H29N5O6
Exact Mass 543.211784 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hbaco4wVn6G
Name benzoic acid, 4-(2-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-6-nitro-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.211783668 u
Formula C29H29N5O6
InChI InChI=1S/C29H29N5O6/c1-3-40-29(36)20-7-9-21(10-8-20)33-27(30-26-12-11-23(34(37)38)18-25(26)28(33)35)19-31-13-15-32(16-14-31)22-5-4-6-24(17-22)39-2/h4-12,17-18H,3,13-16,19H2,1-2H3
InChIKey JSLXNLASPADWEQ-UHFFFAOYSA-N
Molecular Weight 543.580 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_4722
Solvent DMSO-d6
Source Vendor ID: NMR/13288423