| SpectraBase Spectrum ID |
C5MIedWEKP2 |
| Name |
(2S,3S)-2-(4-Methylbenzoyl)-3-morpholin-4-yl-2-phenyloxetane-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.163042573 u |
| Formula |
C22H22N2O3 |
| InChI |
InChI=1S/C22H22N2O3/c1-17-7-9-18(10-8-17)20(25)22(19-5-3-2-4-6-19)21(15-23,16-27-22)24-11-13-26-14-12-24/h2-10H,11-14,16H2,1H3/t21-,22+/m0/s1 |
| InChIKey |
GHHWSYSVXGNKEU-FCHUYYIVSA-N |
| Molecular Weight |
362.429 g/mol |
| SMILES |
[C@@]1([C@](C(C=2C=CC(=CC2)C)=O)(C2=CC=CC=C2)OC1)(N1CCOCC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.885694 |
