| SpectraBase Spectrum ID |
IaGwI89G1Ec |
| Name |
1,4,4-Tris(4-methoxyphenyl)-3-(3-phenylpropyl)-2-azetidinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
507.240958543 u |
| Formula |
C33H33NO4 |
| InChI |
InChI=1S/C33H33NO4/c1-36-28-18-12-25(13-19-28)33(26-14-20-29(37-2)21-15-26)31(11-7-10-24-8-5-4-6-9-24)32(35)34(33)27-16-22-30(38-3)23-17-27/h4-6,8-9,12-23,31H,7,10-11H2,1-3H3 |
| InChIKey |
AHJQKDSEKZUNEY-UHFFFAOYSA-N |
| Molecular Weight |
507.630 g/mol |
| SMILES |
C1(N(C(C1CCCC=1C=CC=CC1)(C1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC)C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891921 |
