| SpectraBase Spectrum ID |
7pJgAKHk74X |
| Name |
benzoic acid, 4-(2-[[4-(4-chlorophenyl)-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 |
547.162246652 u |
| Formula |
C28H26ClN5O5 |
| InChI |
InChI=1S/C28H26ClN5O5/c1-2-39-28(36)19-3-7-22(8-4-19)33-26(30-25-12-11-23(34(37)38)17-24(25)27(33)35)18-31-13-15-32(16-14-31)21-9-5-20(29)6-10-21/h3-12,17H,2,13-16,18H2,1H3 |
| InChIKey |
WPVCPGIZJPTLAU-UHFFFAOYSA-N |
| Molecular Weight |
547.999 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2021_4721 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13288420 |
![benzoic acid, 4-(2-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-6-nitro-4-oxo-3(4H)-quinazolinyl)-, ethyl ester](/api/spectrum/7pJgAKHk74X/structure.png?h=300&w=458 "benzoic acid, 4-(2-[[4-(4-chlorophenyl)-1-piperazinyl]methyl]-6-nitro-4-oxo-3(4H)-quinazolinyl)-, ethyl ester")
