| SpectraBase Spectrum ID |
1tgMUzk8qHC |
| Name |
(1S,5R)-2-(3-(4-methoxyphenyl)-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 |
347.093977209 u |
| Formula |
C16H17N3O4S |
| InChI |
InChI=1S/C16H17N3O4S/c1-18-14(9-3-5-10(21-2)6-4-9)17-19(16(18)24)11-7-12(20)15-22-8-13(11)23-15/h3-6,11,13,15H,7-8H2,1-2H3/t11?,13-,15-/m1/s1 |
| InChIKey |
WRMVYVASKKHCME-IIWDCPNDSA-N |
| Molecular Weight |
347.389 g/mol |
| NMR Offset |
14.5168 |
| NMR Spectrometer Frequency |
300.133 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_818 |
| Solvent |
CDCl3 |
| Source |
Vendor ID: NMR/8325875; Lab Info: LP; Lab Number: LP-L000014 |
| Temperature |
23.85 °C |
![(1S,5R)-2-(3-(4-methoxyphenyl)-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/1tgMUzk8qHC/structure.png?h=300&w=458 "(1S,5R)-2-(3-(4-methoxyphenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one")
