SpectraBase Spectrum ID |
LDTEKO5rwl1 |
Name |
1-piperazinecarboxylic acid, 4-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3,4-dioxo-1-cyclobuten-1-yl]-, 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 |
426.226705458 u |
Formula |
C23H30N4O4 |
InChI |
InChI=1S/C23H30N4O4/c1-4-31-23(30)27-14-12-26(13-15-27)20-19(21(28)22(20)29)25-10-8-24(9-11-25)18-7-5-6-16(2)17(18)3/h5-7H,4,8-15H2,1-3H3 |
InChIKey |
BPCXTGUMNLSXBT-UHFFFAOYSA-N |
Molecular Weight |
426.517 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2021_4699 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/13288352 |