| SpectraBase Spectrum ID |
3VbWpRq4mQ3 |
| Name |
1H-purine-2,6-dione, 7-[(2E)-2-butenyl]-8-[[(2Z)-3-chloro-2-butenyl]thio]-3,7-dihydro-3-methyl- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.076074675 u |
| Formula |
C14H17ClN4O2S |
| InChI |
InChI=1S/C14H17ClN4O2S/c1-4-5-7-19-10-11(18(3)13(21)17-12(10)20)16-14(19)22-8-6-9(2)15/h4-6H,7-8H2,1-3H3,(H,17,20,21)/b5-4+,9-6- |
| InChIKey |
DOHTZTOHWLANDN-WEHQGULRSA-N |
| Molecular Weight |
340.829 g/mol |
| NMR Offset |
15.0036 |
| NMR Spectrometer Frequency |
250.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_3092 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9258505; Lab Number: BAS 0964806 |
| Temperature |
23.85 °C |
![1H-purine-2,6-dione, 7-[(2E)-2-butenyl]-8-[[(2Z)-3-chloro-2-butenyl]thio]-3,7-dihydro-3-methyl-](/api/spectrum/3VbWpRq4mQ3/structure.png?h=300&w=458 "1H-purine-2,6-dione, 7-[(2E)-2-butenyl]-8-[[(2Z)-3-chloro-2-butenyl]thio]-3,7-dihydro-3-methyl-")
