| SpectraBase Spectrum ID |
4Ljzwgz5ypO |
| Name |
acetic acid, [[6-[[2-(4-morpholinylcarbonyl)benzoyl]amino]-2-benzothiazolyl]thio]-, methyl ester |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
471.092263131 u |
| Formula |
C22H21N3O5S2 |
| InChI |
InChI=1S/C22H21N3O5S2/c1-29-19(26)13-31-22-24-17-7-6-14(12-18(17)32-22)23-20(27)15-4-2-3-5-16(15)21(28)25-8-10-30-11-9-25/h2-7,12H,8-11,13H2,1H3,(H,23,27) |
| InChIKey |
YXAJCCIYJRNCSS-UHFFFAOYSA-N |
| Molecular Weight |
471.546 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9471 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/9048399; Lab Info: LP; Lab Number: LP-0630042 |
![acetic acid, [[6-[[2-(4-morpholinylcarbonyl)benzoyl]amino]-2-benzothiazolyl]thio]-, methyl ester](/api/spectrum/4Ljzwgz5ypO/structure.png?h=300&w=458 "acetic acid, [[6-[[2-(4-morpholinylcarbonyl)benzoyl]amino]-2-benzothiazolyl]thio]-, methyl ester")
