| SpectraBase Spectrum ID |
L6skO6yZnb1 |
| Name |
2-Azetidinone, 1-(1,3-dioxo-2,2-diphenylbutyl)-3,3,4-triphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
535.214743795 u |
| Formula |
C37H29NO3 |
| InChI |
InChI=1S/C37H29NO3/c1-27(39)36(29-19-9-3-10-20-29,30-21-11-4-12-22-30)34(40)38-33(28-17-7-2-8-18-28)37(35(38)41,31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-26,33H,1H3 |
| InChIKey |
IQNKPHNHIJCURA-UHFFFAOYSA-N |
| Molecular Weight |
535.643 g/mol |
| SMILES |
C1(=O)C(C(N1C(C(C(C)=O)(C1=CC=CC=C1)C1=CC=CC=C1)=O)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954569 |
