| SpectraBase Spectrum ID |
7Wa0B11mrvm |
| Name |
2-({[5-(acetyloxy)-6-bromo-3-(ethoxycarbonyl)-1-methyl-1H-indol-2-yl]methyl}sulfanyl)propan-2-ylium bromide |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.946303274 u |
| Formula |
C16H19Br2N3O4S |
| InChI |
InChI=1S/C16H18BrN3O4S.BrH/c1-4-23-15(22)14-9-5-13(24-8(2)21)10(17)6-11(9)20(3)12(14)7-25-16(18)19;/h5-6H,4,7H2,1-3H3,(H3,18,19);1H |
| InChIKey |
KXJADVLOOHFQQE-UHFFFAOYSA-N |
| Molecular Weight |
509.213 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_12828 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10029705; Lab Info: PLU; Lab Number: FCI-485-0007 |
![2-({[5-(acetyloxy)-6-bromo-3-(ethoxycarbonyl)-1-methyl-1H-indol-2-yl]methyl}sulfanyl)propan-2-ylium bromide](/api/spectrum/7Wa0B11mrvm/structure.png?h=300&w=458 "2-({[5-(acetyloxy)-6-bromo-3-(ethoxycarbonyl)-1-methyl-1H-indol-2-yl]methyl}sulfanyl)propan-2-ylium bromide")
