| SpectraBase Spectrum ID |
5CmAPMIIQFr |
| Name |
(1S,2S,5R)-2-(4-methyl-3-(pyridin-3-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.078661498 u |
| Formula |
C14H14N4O3S |
| InChI |
InChI=1S/C14H14N4O3S/c1-17-12(8-3-2-4-15-6-8)16-18(14(17)22)9-5-10(19)13-20-7-11(9)21-13/h2-4,6,9,11,13H,5,7H2,1H3/t9-,11+,13+/m0/s1 |
| InChIKey |
ZDLZDVQVPSPYEQ-UFGOTCBOSA-N |
| Molecular Weight |
318.351 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17192 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11240605; Lab Info: LP; Lab Number: LP-0000008 |
![(1S,2S,5R)-2-(4-methyl-3-(pyridin-3-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/5CmAPMIIQFr/structure.png?h=300&w=458 "(1S,2S,5R)-2-(4-methyl-3-(pyridin-3-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one")
