| SpectraBase Spectrum ID |
CfHa212CDZn |
| Name |
2-({4-allyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
495.072844521 u |
| Formula |
C23H22BrN5OS |
| InChI |
InChI=1S/C23H22BrN5OS/c1-3-12-29-21(13-19-15(2)25-20-7-5-4-6-18(19)20)27-28-23(29)31-14-22(30)26-17-10-8-16(24)9-11-17/h3-11,25H,1,12-14H2,2H3,(H,26,30) |
| InChIKey |
YTPHVAZAPWUIQA-UHFFFAOYSA-N |
| Molecular Weight |
496.427 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_4467 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12309409 |
![2-({4-allyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide](/api/spectrum/CfHa212CDZn/structure.png?h=300&w=458 "2-({4-allyl-5-[(2-methyl-1H-indol-3-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-bromophenyl)acetamide")
