| SpectraBase Spectrum ID |
29zcnsycql3 |
| Name |
4-(2-Methoxy-phenyl)-1-(3-nitro-phenyl)-3-phenoxy-azetidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.121571683 u |
| Formula |
C22H18N2O5 |
| InChI |
InChI=1S/C22H18N2O5/c1-28-19-13-6-5-12-18(19)20-21(29-17-10-3-2-4-11-17)22(25)23(20)15-8-7-9-16(14-15)24(26)27/h2-14,20-21H,1H3 |
| InChIKey |
QKVLMIXHPFSYCW-UHFFFAOYSA-N |
| Molecular Weight |
390.395 g/mol |
| SMILES |
C1=CC=C(C=C1)OC1C(N(C1C1=C(OC)C=CC=C1)C1=CC(N(=O)=O)=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900585 |
