| SpectraBase Spectrum ID |
9tOL78gHDFk |
| Name |
benzoic acid, 2-[[[(2,3,6,7-tetrahydro-1,3,7-trimethyl-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 |
417.110689901 u |
| Formula |
C18H19N5O5S |
| InChI |
InChI=1S/C18H19N5O5S/c1-21-13-14(22(2)18(27)23(3)15(13)25)20-17(21)29-9-12(24)19-11-8-6-5-7-10(11)16(26)28-4/h5-8H,9H2,1-4H3,(H,19,24) |
| InChIKey |
LTNYRMYSSVGRET-UHFFFAOYSA-N |
| Molecular Weight |
417.440 g/mol |
| NMR Offset |
16.1752 |
| NMR Spectrometer Frequency |
200.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1521 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/8156746; Lab Info: LP; Lab Number: LP-3700509 |
| Temperature |
39.85 °C |
![benzoic acid, 2-[[[(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)thio]acetyl]amino]-, methyl ester](/api/spectrum/9tOL78gHDFk/structure.png?h=300&w=458 "benzoic acid, 2-[[[(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)thio]acetyl]amino]-, methyl ester")
