| SpectraBase Spectrum ID |
8ZQ7S6Jenvx |
| Name |
benzoic acid, 4-[2,5-dioxo-3-(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)-1-pyrrolidinyl]-, methyl 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 |
451.247106551 u |
| Formula |
C26H33N3O4 |
| InChI |
InChI=1S/C26H33N3O4/c1-33-25(32)20-2-4-21(5-3-20)29-23(30)13-22(24(29)31)27-6-8-28(9-7-27)26-14-17-10-18(15-26)12-19(11-17)16-26/h2-5,17-19,22H,6-16H2,1H3/t17-,18+,19-,22?,26- |
| InChIKey |
VCGQRVLMKIIIOV-NZBCHGJISA-N |
| Molecular Weight |
451.567 g/mol |
| NMR Offset |
17.9886 |
| NMR Spectrometer Frequency |
500.132 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15389 |
| Solvent |
CDCl3 |
| Source |
Vendor ID: NMR/11230011; Lab Info: PE; Lab Number: PE-0103009 |
![4-[3-[4-(1-adamantyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester](/api/spectrum/8ZQ7S6Jenvx/structure.png?h=300&w=458 "4-[3-[4-(1-adamantyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester")
