| SpectraBase Spectrum ID |
8uIbuJCZ12r |
| Name |
(2R,3S) Ethyl 3-chloro-2(1-ethoxycarbonyl-1-N-propyl)methylamino-3-phenylpropionate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.155036017 u |
| Formula |
C18H26ClNO4 |
| InChI |
InChI=1S/C18H26ClNO4/c1-4-10-14(17(21)23-5-2)20-16(18(22)24-6-3)15(19)13-11-8-7-9-12-13/h7-9,11-12,14-16,20H,4-6,10H2,1-3H3/t14?,15-,16-/m0/s1 |
| InChIKey |
HTLBEYYHKHCRDE-YVZMLIKISA-N |
| Molecular Weight |
355.862 g/mol |
| SMILES |
[C@](NC(C(=O)OCC)CCC)(C(=O)OCC)([C@](C1=CC=CC=C1)(Cl)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921224 |
