| SpectraBase Spectrum ID |
4LNm8UYCeLy |
| Name |
benzoic acid, 2-[[[(7-ethyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]acetyl]amino]-, 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 |
431.126339965 u |
| Formula |
C19H21N5O5S |
| InChI |
InChI=1S/C19H21N5O5S/c1-5-24-14-15(22(2)19(28)23(3)16(14)26)21-18(24)30-10-13(25)20-12-9-7-6-8-11(12)17(27)29-4/h6-9H,5,10H2,1-4H3,(H,20,25) |
| InChIKey |
XZPSMUGHMYVBIW-UHFFFAOYSA-N |
| Molecular Weight |
431.467 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_6567 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9244696; Lab Info: LP; Lab Number: LP-3701013 |
![benzoic acid, 2-[[[(7-ethyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]acetyl]amino]-, methyl ester](/api/spectrum/4LNm8UYCeLy/structure.png?h=300&w=458 "benzoic acid, 2-[[[(7-ethyl-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]acetyl]amino]-, methyl ester")
