| SpectraBase Spectrum ID |
IxPoGbVtXJ0 |
| Name |
(2R)-2-(Tert-butoxycarbonylamino)-3-(4-methoxyphenyl)propionic acid 2,2,2-trichloroethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.056355907 u |
| Formula |
C17H22Cl3NO5 |
| InChI |
InChI=1S/C17H22Cl3NO5/c1-16(2,3)26-15(23)21-13(14(22)25-10-17(18,19)20)9-11-5-7-12(24-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,21,23)/t13-/m1/s1 |
| InChIKey |
JYFCQKWDCYKUAE-CYBMUJFWSA-N |
| Molecular Weight |
426.724 g/mol |
| SMILES |
C(N[C@@](C(OCC(Cl)(Cl)Cl)=O)(CC=1C=CC(=CC1)OC)[H])(OC(C)(C)C)=O |
