| SpectraBase Spectrum ID |
87dYKIBQ3QL |
| Name |
1H-indole-3-carboxylic acid, 6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-5-hydroxy-1-phenyl-, ethyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
496.111003678 u |
| Formula |
C24H25BrN4O3 |
| InChI |
InChI=1S/C24H25BrN4O3/c1-2-32-24(31)23-18-14-22(30)19(25)15-20(18)29(17-6-4-3-5-7-17)21(23)16-28-12-10-27(9-8-26)11-13-28/h3-7,14-15,30H,2,9-13,16H2,1H3 |
| InChIKey |
OLGQPIYPTODGCW-UHFFFAOYSA-N |
| Molecular Weight |
497.393 g/mol |
| NMR Offset |
18.0059 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_8072 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9290850; Lab Info: JMR; Lab Number: JMR-0001830 |
| Temperature |
29.85 °C |
![1H-indole-3-carboxylic acid, 6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-5-hydroxy-1-phenyl-, ethyl ester](/api/spectrum/87dYKIBQ3QL/structure.png?h=300&w=458 "1H-indole-3-carboxylic acid, 6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-5-hydroxy-1-phenyl-, ethyl ester")
