| SpectraBase Spectrum ID |
85uU0cUqnBT |
| Name |
2-(4-allyl-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 |
344.094311562 u |
| Formula |
C16H16N4O3S |
| InChI |
InChI=1S/C16H16N4O3S/c1-2-6-19-14(10-4-3-5-17-8-10)18-20(16(19)24)11-7-12(21)15-22-9-13(11)23-15/h2-5,8,11,13,15H,1,6-7,9H2 |
| InChIKey |
ZDZVRFMWBQBFKA-UHFFFAOYSA-N |
| Molecular Weight |
344.389 g/mol |
| NMR Offset |
17.987 |
| NMR Spectrometer Frequency |
500.132 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17680 |
| Solvent |
CDCl3 |
| Source |
Vendor ID: NMR/11230437; Lab Info: SF; Lab Number: SF-AK00065 |
![2-(4-allyl-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/85uU0cUqnBT/structure.png?h=300&w=458 "2-(4-allyl-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")
