| SpectraBase Spectrum ID |
39Jvt8rI0rr |
| Name |
(1S,2S,5R)-2-(4-benzyl-3-(4-chlorophenyl)-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 |
427.075740323 u |
| Formula |
C21H18ClN3O3S |
| InChI |
InChI=1S/C21H18ClN3O3S/c22-15-8-6-14(7-9-15)19-23-25(16-10-17(26)20-27-12-18(16)28-20)21(29)24(19)11-13-4-2-1-3-5-13/h1-9,16,18,20H,10-12H2/t16-,18+,20+/m0/s1 |
| InChIKey |
KKBPAKFIAOEJAZ-ILZDJORESA-N |
| Molecular Weight |
427.906 g/mol |
| NMR Offset |
14.5168 |
| NMR Spectrometer Frequency |
300.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_295 |
| Solvent |
CDCl3 |
| Source |
Vendor ID: NMR/8315261; Lab Info: LP; Lab Number: LP-L-16 |
| Temperature |
23.85 °C |
![(1S,2S,5R)-2-(4-benzyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/39Jvt8rI0rr/structure.png?h=300&w=458 "(1S,2S,5R)-2-(4-benzyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one")
