| SpectraBase Spectrum ID |
JSJxKEEq3mk |
| Name |
rel-(2S,3R)-2-Benzoyl-3-morpholino-2-phenyloxetane-3-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.147392509 u |
| Formula |
C21H20N2O3 |
| InChI |
InChI=1S/C21H20N2O3/c22-15-20(23-11-13-25-14-12-23)16-26-21(20,18-9-5-2-6-10-18)19(24)17-7-3-1-4-8-17/h1-10H,11-14,16H2/t20-,21-/m1/s1 |
| InChIKey |
VZOZCRBJHZWZKX-NHCUHLMSSA-N |
| Molecular Weight |
348.402 g/mol |
| SMILES |
[C@]1(N2CCOCC2)(C#N)[C@](C(C=2C=CC=CC2)=O)(C=2C=CC=CC2)OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805776 |
