| SpectraBase Spectrum ID |
6jdiSi0qy5D |
| Name |
(3S,4S)-3-Benzoxy-4-(1-chloro-1-methyl-ethyl)-1-cyclohexyl-azetidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.165206779 u |
| Formula |
C19H26ClNO2 |
| InChI |
InChI=1S/C19H26ClNO2/c1-19(2,20)17-16(23-13-14-9-5-3-6-10-14)18(22)21(17)15-11-7-4-8-12-15/h3,5-6,9-10,15-17H,4,7-8,11-13H2,1-2H3/t16-,17-/m0/s1 |
| InChIKey |
FUXKSTMRYSXTHK-IRXDYDNUSA-N |
| Molecular Weight |
335.875 g/mol |
| SMILES |
C1(N([C@@]([C@@]1(OCC=1C=CC=CC1)[H])(C(Cl)(C)C)[H])C1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909168 |
