| SpectraBase Spectrum ID |
Eq6g1uPI56q |
| Name |
piperazinediium, 1-[3-[(3-bromo-4-methylphenyl)amino]-3-oxopropyl]-4-(2-hydroxyethyl)-, dichloride |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
441.058545487 u |
| Formula |
C16H26BrCl2N3O2 |
| InChI |
InChI=1S/C16H24BrN3O2.2ClH/c1-13-2-3-14(12-15(13)17)18-16(22)4-5-19-6-8-20(9-7-19)10-11-21;;/h2-3,12,21H,4-11H2,1H3,(H,18,22);2*1H |
| InChIKey |
YGSRWRBDUKZFSA-UHFFFAOYSA-N |
| Molecular Weight |
443.213 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17741 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11240498; Lab Info: JMR; Lab Number: JMR-0000040 |
![piperazinediium, 1-[3-[(3-bromo-4-methylphenyl)amino]-3-oxopropyl]-4-(2-hydroxyethyl)-, dichloride](/api/spectrum/Eq6g1uPI56q/structure.png?h=300&w=458 "piperazinediium, 1-[3-[(3-bromo-4-methylphenyl)amino]-3-oxopropyl]-4-(2-hydroxyethyl)-, dichloride")
