| SpectraBase Spectrum ID |
AEFviL9CMSK |
| Name |
3-Azetidinecarboxylic acid, 3-chloro-2-oxo-1,4-diphenyl-, phenylmethyl ester, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.097521141 u |
| Formula |
C23H18ClNO3 |
| InChI |
InChI=1S/C23H18ClNO3/c24-23(22(27)28-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)25(21(23)26)19-14-8-3-9-15-19/h1-15,20H,16H2 |
| InChIKey |
PWVTWOSWDXMBFK-UHFFFAOYSA-N |
| Molecular Weight |
391.854 g/mol |
| SMILES |
C1(C(=O)N(C1C1=CC=CC=C1)C=1C=CC=CC1)(C(OCC1=CC=CC=C1)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819662 |
