| SpectraBase Spectrum ID |
2FWum9F59sf |
| Name |
(1R,2R,5S)-2-(3-(phenoxymethyl)-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 |
409.109627274 u |
| Formula |
C21H19N3O4S |
| InChI |
InChI=1S/C21H19N3O4S/c25-17-11-16(18-12-27-20(17)28-18)24-21(29)23(14-7-3-1-4-8-14)19(22-24)13-26-15-9-5-2-6-10-15/h1-10,16,18,20H,11-13H2/t16-,18+,20+/m1/s1 |
| InChIKey |
FBIOLMDPKYLULT-KPFFTGBYSA-N |
| Molecular Weight |
409.460 g/mol |
| NMR Offset |
16.579 |
| NMR Spectrometer Frequency |
250.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_240 |
| Solvent |
CDCl3 |
| Source |
Vendor ID: NMR/8295496; Lab Info: S-P,Polukeev; Lab Number: LP-L-7 |
| Temperature |
23.85 °C |
![(1R,2R,5S)-2-(3-(phenoxymethyl)-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/2FWum9F59sf/structure.png?h=300&w=458 "(1R,2R,5S)-2-(3-(phenoxymethyl)-4-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one")
