| SpectraBase Spectrum ID |
3ACPcG0Rf5r |
| Name |
benzoic acid, 4-[[(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)carbonothioyl]amino]-, 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 |
427.229348487 u |
| Formula |
C24H33N3O2S |
| InChI |
InChI=1S/C24H33N3O2S/c1-2-29-22(28)20-3-5-21(6-4-20)25-23(30)26-7-9-27(10-8-26)24-14-17-11-18(15-24)13-19(12-17)16-24/h3-6,17-19H,2,7-16H2,1H3,(H,25,30)/t17-,18+,19-,24- |
| InChIKey |
LLISBPCTJRGUKD-PCFUMONKSA-N |
| Molecular Weight |
427.607 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_15366 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11230015; Lab Info: PE; Lab Number: PE-0103014 |
![benzoic acid, 4-[[(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)carbonothioyl]amino]-, ethyl ester](/api/spectrum/3ACPcG0Rf5r/structure.png?h=300&w=458 "benzoic acid, 4-[[(4-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-piperazinyl)carbonothioyl]amino]-, ethyl ester")
