| SpectraBase Spectrum ID |
IrBJzobBs0S |
| Name |
(S)-N-(1-Cyclohexylethyl)-(R)-2-(4-chloro-2-methylphenoxy)propionamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.165206779 u |
| Formula |
C18H26ClNO2 |
| InChI |
InChI=1S/C18H26ClNO2/c1-12-11-16(19)9-10-17(12)22-14(3)18(21)20-13(2)15-7-5-4-6-8-15/h9-11,13-15H,4-8H2,1-3H3,(H,20,21)/t13-,14+/m1/s1 |
| InChIKey |
XRSZURFFPSBCQM-KGLIPLIRSA-N |
| Molecular Weight |
323.864 g/mol |
| SMILES |
C(N[C@@](C1CCCCC1)(C)[H])([C@@](OC=1C(=CC(=CC1)Cl)C)(C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882805 |
