| SpectraBase Spectrum ID |
3UNaQGyxcXt |
| Name |
1H-indole-4-methanaminium, 6-bromo-3-(ethoxycarbonyl)-5-hydroxy-N,N,1-trimethyl-2-[(phenylthio)methyl]-, chloride |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
512.053604576 u |
| Formula |
C22H26BrClN2O3S |
| InChI |
InChI=1S/C22H25BrN2O3S.ClH/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3;/h6-11,26H,5,12-13H2,1-4H3;1H |
| InChIKey |
OMZHXQXQJGCSKN-UHFFFAOYSA-N |
| Molecular Weight |
513.878 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_428 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/8305943; Lab Info: JMR; Lab Number: JMR-D001505 |
| Temperature |
29.85 °C |
![1H-indole-4-methanaminium, 6-bromo-3-(ethoxycarbonyl)-5-hydroxy-N,N,1-trimethyl-2-[(phenylthio)methyl]-, chloride](/api/spectrum/3UNaQGyxcXt/structure.png?h=300&w=458 "1H-indole-4-methanaminium, 6-bromo-3-(ethoxycarbonyl)-5-hydroxy-N,N,1-trimethyl-2-[(phenylthio)methyl]-, chloride")
