| SpectraBase Spectrum ID |
BSEVHO905XZ |
| Name |
2-[(3-chlorobenzyl)sulfanyl]-8,8-dimethyl-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
522.112854107 u |
| Formula |
C26H23ClN4O4S |
| InChI |
InChI=1S/C26H23ClN4O4S/c1-26(2)11-18-21(19(32)12-26)20(15-6-8-17(9-7-15)31(34)35)22-23(28-18)29-25(30-24(22)33)36-13-14-4-3-5-16(27)10-14/h3-10,20H,11-13H2,1-2H3,(H2,28,29,30,33) |
| InChIKey |
YGRBMCQCQZCOMS-UHFFFAOYSA-N |
| Molecular Weight |
523.007 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_9924 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/13238086 |
![2-[(3-chlorobenzyl)sulfanyl]-8,8-dimethyl-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione](/api/spectrum/BSEVHO905XZ/structure.png?h=300&w=458 "2-[(3-chlorobenzyl)sulfanyl]-8,8-dimethyl-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione")
