| SpectraBase Spectrum ID |
5CkjKK7TO4B |
| Name |
benzoic acid, 4-[4-[2-[(4-methoxyphenyl)amino]-2-oxoethyl]-5-oxo-2-thioxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-1-imidazolidinyl]-, 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 |
589.261042537 u |
| Formula |
C33H39N3O5S |
| InChI |
InChI=1S/C33H39N3O5S/c1-3-41-31(39)24-4-8-26(9-5-24)36-30(38)28(17-29(37)34-25-6-10-27(40-2)11-7-25)35(32(36)42)13-12-33-18-21-14-22(19-33)16-23(15-21)20-33/h4-11,21-23,28H,3,12-20H2,1-2H3,(H,34,37)/t21-,22+,23-,28?,33+ |
| InChIKey |
LVPOZCPIQIYTHP-ZURGNTNTSA-N |
| Molecular Weight |
589.751 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17865 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11222672; Lab Info: PE; Lab Number: PE-0110038 |
![benzoic acid, 4-[4-[2-[(4-methoxyphenyl)amino]-2-oxoethyl]-5-oxo-2-thioxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-1-imidazolidinyl]-, ethyl ester](/api/spectrum/5CkjKK7TO4B/structure.png?h=300&w=458 "benzoic acid, 4-[4-[2-[(4-methoxyphenyl)amino]-2-oxoethyl]-5-oxo-2-thioxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-1-imidazolidinyl]-, ethyl ester")
