| SpectraBase Spectrum ID |
A9CsOjGMGC |
| Name |
1H-indole-3-carboxylic acid, 6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-5-hydroxy-1-(phenylmethyl)-, 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 |
510.126653742 u |
| Formula |
C25H27BrN4O3 |
| InChI |
InChI=1S/C25H27BrN4O3/c1-2-33-25(32)24-19-14-23(31)20(26)15-21(19)30(16-18-6-4-3-5-7-18)22(24)17-29-12-10-28(9-8-27)11-13-29/h3-7,14-15,31H,2,9-13,16-17H2,1H3 |
| InChIKey |
SHUKUMSOUYJFIY-UHFFFAOYSA-N |
| Molecular Weight |
511.420 g/mol |
| NMR Offset |
12.8202 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_778 |
| Solvent |
ACETONE-d6 |
| Source |
Vendor ID: NMR/8267188; Lab Info: JMR; Lab Number: JMR-0001606 |
| Temperature |
23.85 °C |
![1H-indole-3-carboxylic acid, 6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-5-hydroxy-1-(phenylmethyl)-, ethyl ester](/api/spectrum/A9CsOjGMGC/structure.png?h=300&w=458 "1H-indole-3-carboxylic acid, 6-bromo-2-[[4-(cyanomethyl)-1-piperazinyl]methyl]-5-hydroxy-1-(phenylmethyl)-, ethyl ester")
