| SpectraBase Spectrum ID |
1IiskiXYuVm |
| Name |
alanine, N-(6-chloro-2-benzothiazolyl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, 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 |
425.042389334 u |
| Formula |
C15H15ClF3N3O4S |
| InChI |
InChI=1S/C15H15ClF3N3O4S/c1-3-25-11(23)14(15(17,18)19,22-13(24)26-4-2)21-12-20-9-6-5-8(16)7-10(9)27-12/h5-7H,3-4H2,1-2H3,(H,20,21)(H,22,24) |
| InChIKey |
GOHSCHJDSHZJFA-UHFFFAOYSA-N |
| Molecular Weight |
425.810 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_17444 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/11270680; Lab Info: AU; Lab Number: AU-EC01299 |
![alanine, N-(6-chloro-2-benzothiazolyl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, ethyl ester](/api/spectrum/1IiskiXYuVm/structure.png?h=300&w=458 "alanine, N-(6-chloro-2-benzothiazolyl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoro-, ethyl ester")
