| SpectraBase Spectrum ID |
AGvOnBwqo6x |
| Name |
ethanone, 1-[5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(1,1-dimethylethyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.134969277 u |
| Formula |
C21H22ClN3O3 |
| InChI |
InChI=1S/C21H22ClN3O3/c1-13(26)19-23-25(16-8-6-15(22)7-9-16)20(24(19)21(2,3)4)14-5-10-17-18(11-14)28-12-27-17/h5-11,20H,12H2,1-4H3 |
| InChIKey |
YUHMWBGGGBZGNL-UHFFFAOYSA-N |
| Molecular Weight |
399.878 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5843 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9223717; Lab Info: LP; Lab Number: LP-3900184 |
![ethanone, 1-[5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(1,1-dimethylethyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]-](/api/spectrum/AGvOnBwqo6x/structure.png?h=300&w=458 "ethanone, 1-[5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-(1,1-dimethylethyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]-")
