| SpectraBase Spectrum ID |
DoGeTty9qrH |
| Name |
(1R,2R,5S)-2-(3-benzyl-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 |
393.114712655 u |
| Formula |
C21H19N3O3S |
| InChI |
InChI=1S/C21H19N3O3S/c25-17-12-16(18-13-26-20(17)27-18)24-21(28)23(15-9-5-2-6-10-15)19(22-24)11-14-7-3-1-4-8-14/h1-10,16,18,20H,11-13H2/t16-,18+,20+/m1/s1 |
| InChIKey |
VAVACWVWMLDDHZ-KPFFTGBYSA-N |
| Molecular Weight |
393.461 g/mol |
| NMR Offset |
16.579 |
| NMR Spectrometer Frequency |
250.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_242 |
| Solvent |
CDCl3 |
| Source |
Vendor ID: NMR/8295498; Lab Info: S-P,Polukeev; Lab Number: LP-L-9 |
| Temperature |
23.85 °C |
![(1R,2R,5S)-2-(3-benzyl-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/DoGeTty9qrH/structure.png?h=300&w=458 "(1R,2R,5S)-2-(3-benzyl-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one")
