| SpectraBase Spectrum ID |
5lTzfHW1JnD |
| Name |
(1S,2S,5R)-2-(3-(furan-2-yl)-4-methyl-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 |
307.062677081 u |
| Formula |
C13H13N3O4S |
| InChI |
InChI=1S/C13H13N3O4S/c1-15-11(9-3-2-4-18-9)14-16(13(15)21)7-5-8(17)12-19-6-10(7)20-12/h2-4,7,10,12H,5-6H2,1H3/t7-,10+,12+/m0/s1 |
| InChIKey |
JFYUOYIRFCTBPK-HNBZJPLGSA-N |
| Molecular Weight |
307.324 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17782 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11240602; Lab Info: LP; Lab Number: LP-0000005 |
![(1S,2S,5R)-2-(3-(furan-2-yl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/5lTzfHW1JnD/structure.png?h=300&w=458 "(1S,2S,5R)-2-(3-(furan-2-yl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one")
