| SpectraBase Spectrum ID |
BKixOocKvQ3 |
| Name |
benzoic acid, 4-[[[(2E)-2-[(4-chlorophenyl)imino]tetrahydro-4-oxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-2H-1,3-thiazin-6-yl]carbonyl]amino]- |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
565.180205392 u |
| Formula |
C30H32ClN3O4S |
| InChI |
InChI=1S/C30H32ClN3O4S/c31-22-3-7-24(8-4-22)33-29-34(10-9-30-15-18-11-19(16-30)13-20(12-18)17-30)26(35)14-25(39-29)27(36)32-23-5-1-21(2-6-23)28(37)38/h1-8,18-20,25H,9-17H2,(H,32,36)(H,37,38)/b33-29+/t18-,19+,20-,25?,30+ |
| InChIKey |
ITKHCIMAFOKCEA-ISZXFDKGSA-N |
| Molecular Weight |
566.116 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17815 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11222660; Lab Info: PE; Lab Number: PE-0110026 |
![benzoic acid, 4-[[[(2E)-2-[(4-chlorophenyl)imino]tetrahydro-4-oxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-2H-1,3-thiazin-6-yl]carbonyl]amino]-](/api/spectrum/BKixOocKvQ3/structure.png?h=300&w=458 "benzoic acid, 4-[[[(2E)-2-[(4-chlorophenyl)imino]tetrahydro-4-oxo-3-(2-tricyclo[3.3.1.1~3,7~]dec-1-ylethyl)-2H-1,3-thiazin-6-yl]carbonyl]amino]-")
