| SpectraBase Spectrum ID |
1bnHlGaFdSd |
| Name |
benzoic acid, 4-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]oxy]-, methyl 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 |
454.104397423 u |
| Formula |
C22H19ClN4O5 |
| InChI |
InChI=1S/C22H19ClN4O5/c1-25-18-17(19(28)26(2)22(25)30)27(12-14-6-4-5-7-16(14)23)21(24-18)32-15-10-8-13(9-11-15)20(29)31-3/h4-11H,12H2,1-3H3 |
| InChIKey |
CMHZGZRXYMEPMQ-UHFFFAOYSA-N |
| Molecular Weight |
454.870 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_7329 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10222964; Lab Info: SAD; Lab Number: SAD-DAS1603 |
| Temperature |
29.85 °C |
![benzoic acid, 4-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]oxy]-, methyl ester](/api/spectrum/1bnHlGaFdSd/structure.png?h=300&w=458 "benzoic acid, 4-[[7-[(2-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]oxy]-, methyl ester")
