| SpectraBase Spectrum ID |
9Zf34zfpECV |
| Name |
1-(2-chloro-4-nitrophenyl)-4-{3-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl}piperazin-4-ium 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 |
447.107624256 u |
| Formula |
C17H23Cl2N5O5 |
| InChI |
InChI=1S/C17H22ClN5O5.ClH/c1-12-17(20-28-19-12)27-14(11-26-2)10-21-5-7-22(8-6-21)16-4-3-13(23(24)25)9-15(16)18;/h3-4,9,14H,5-8,10-11H2,1-2H3;1H |
| InChIKey |
JXHZNMZMTCQPOG-UHFFFAOYSA-N |
| Molecular Weight |
448.307 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2020_4043 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/12308669 |
![1-(2-chloro-4-nitrophenyl)-4-{3-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl}piperazin-4-ium chloride](/api/spectrum/9Zf34zfpECV/structure.png?h=300&w=458 "1-(2-chloro-4-nitrophenyl)-4-{3-methoxy-2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]propyl}piperazin-4-ium chloride")
