| SpectraBase Spectrum ID |
32NrlHE7CIo |
| Name |
2-{(2-Chloroacetyl)-[1-(4-trifluoromethylphenyl)ethyl]amino}-3-methylbutyric acid methyl ester isomer |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21ClF3NO3 |
| InChI |
InChI=1S/C17H21ClF3NO3/c1-10(2)15(16(24)25-4)22(14(23)9-18)11(3)12-5-7-13(8-6-12)17(19,20)21/h5-8,10-11,15H,9H2,1-4H3/t11-,15-/m0/s1 |
| InChIKey |
SOYRZBABCNYYKF-NHYWBVRUSA-N |
| Molecular Weight |
379.807 g/mol |
| SMILES |
[C@](N(C(=O)CCl)[C@](c1ccc(C(F)(F)F)cc1)(C)[H])(C(=O)OC)(C(C)C)[H] |
| SPLASH |
splash10-00di-0923000000-70a84ded02d935e79fa3 |
| Source of Spectrum |
KC-61-1285-5 |
| Wiley ID |
1627520 |
![2-{(2-Chloroacetyl)-[1-(4-trifluoromethylphenyl)ethyl]amino}-3-methylbutyric acid methyl ester isomer](/api/spectrum/32NrlHE7CIo/structure.png?h=300&w=458 "2-{(2-Chloroacetyl)-[1-(4-trifluoromethylphenyl)ethyl]amino}-3-methylbutyric acid methyl ester isomer")
