| SpectraBase Spectrum ID |
Cf5jGVJfft5 |
| Name |
1,4-Diphenyl-3-chloro-3-ethoxycarbonyl-azetidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.081871076 u |
| Formula |
C18H16ClNO3 |
| InChI |
InChI=1S/C18H16ClNO3/c1-2-23-17(22)18(19)15(13-9-5-3-6-10-13)20(16(18)21)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3 |
| InChIKey |
OYQRPPSBCFRTGW-UHFFFAOYSA-N |
| Molecular Weight |
329.783 g/mol |
| Nominal Mass |
329 u |
| SMILES |
C1=CC(=CC=C1)N1C(C(C1=O)(Cl)C(=O)OCC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920363 |
