| SpectraBase Spectrum ID |
GXLe1DiaD2Q |
| Name |
(2R,3S) Ethyl 3-chloro-2(1-ethoxycarbonyl-1-phenyl)methylamino-3-phenylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.139385953 u |
| Formula |
C21H24ClNO4 |
| InChI |
InChI=1S/C21H24ClNO4/c1-3-26-20(24)18(16-13-9-6-10-14-16)23-19(21(25)27-4-2)17(22)15-11-7-5-8-12-15/h5-14,17-19,23H,3-4H2,1-2H3/t17-,18?,19-/m0/s1 |
| InChIKey |
KUWCIITZJNSXMI-JVUMBYKBSA-N |
| Molecular Weight |
389.879 g/mol |
| SMILES |
[C@](NC(C(=O)OCC)C1=CC=CC=C1)(C(=O)OCC)([C@](C1=CC=CC=C1)(Cl)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902402 |
