SpectraBase Spectrum ID |
9qCzJxXErim |
Name |
1H-pyrrole-3-ethanaminium, 2-[[3-[2-(diethylammonio)ethyl]-5-(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl]-5-(ethoxycarbonyl)-N,N-diethyl- |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
588.320911502 u |
Formula |
C29H50Cl2N4O4 |
InChI |
InChI=1S/C29H48N4O4.2ClH/c1-9-32(10-2)17-15-22-20(7)26(28(34)36-13-5)30-24(22)19-25-23(16-18-33(11-3)12-4)21(8)27(31-25)29(35)37-14-6;;/h30-31H,9-19H2,1-8H3;2*1H |
InChIKey |
DFSBDYWUXCITNH-UHFFFAOYSA-N |
Molecular Weight |
589.649 g/mol |
NMR Offset |
15.0036 |
NMR Spectrometer Frequency |
250.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_2334 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9213615; Lab Info: GRI; Lab Number: GRI-0000207 |
Temperature |
23.85 °C |