| SpectraBase Spectrum ID |
K2CALo67hru |
| Name |
1-(p-Methoxyphenyl)-3-phenyloxy-4-oxoazetidine-2-N-benzyln-methylenenitrone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.157957192 u |
| Formula |
C24H22N2O4 |
| InChI |
InChI=1S/C24H22N2O4/c1-29-20-14-12-19(13-15-20)26-22(17-25(28)16-18-8-4-2-5-9-18)23(24(26)27)30-21-10-6-3-7-11-21/h2-15,17,22-23H,16H2,1H3/b25-17-/t22-,23+/m0/s1 |
| InChIKey |
GKHPKYPTEXDOOC-VCFUGLODSA-N |
| Molecular Weight |
402.450 g/mol |
| SMILES |
C1([C@@](OC2=CC=CC=C2)([H])[C@@](N1C1=CC=C(C=C1)OC)(\C=[N+]\([O-])CC=1C=CC=CC1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830801 |
