| SpectraBase Spectrum ID |
DmrPHVIAkT9 |
| Name |
(1S,2S,5R)-2-(3-(4-chlorophenyl)-4-phenyl-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 |
413.060090258 u |
| Formula |
C20H16ClN3O3S |
| InChI |
InChI=1S/C20H16ClN3O3S/c21-13-8-6-12(7-9-13)18-22-24(15-10-16(25)19-26-11-17(15)27-19)20(28)23(18)14-4-2-1-3-5-14/h1-9,15,17,19H,10-11H2/t15-,17+,19+/m0/s1 |
| InChIKey |
HZZBZOJDSUOOLF-KVSKMBFKSA-N |
| Molecular Weight |
413.879 g/mol |
| NMR Offset |
14.5168 |
| NMR Spectrometer Frequency |
300.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_294 |
| Solvent |
CDCl3 |
| Source |
Vendor ID: NMR/8315260; Lab Info: LP; Lab Number: LP-L-15 |
| Temperature |
23.85 °C |
![(1S,2S,5R)-2-(3-(4-chlorophenyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one](/api/spectrum/DmrPHVIAkT9/structure.png?h=300&w=458 "(1S,2S,5R)-2-(3-(4-chlorophenyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one")
