| SpectraBase Spectrum ID |
9MJtZoHXiXk |
| Name |
[2.2]Paracyclophane-4,15-[N',N''-1,2-diphenylcyclobutane-3,4-biscarbomide] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
498.230728212 u |
| Formula |
C34H30N2O2 |
| InChI |
InChI=1S/C34H30N2O2/c37-33-31-29(25-7-3-1-4-8-25)30(26-9-5-2-6-10-26)32(31)34(38)36-28-20-22-12-11-21-13-15-23(27(19-21)35-33)17-18-24(28)16-14-22/h1-10,13-16,19-20,29-32H,11-12,17-18H2,(H,35,37)(H,36,38)/t29?,30?,31-,32?/m1/s1 |
| InChIKey |
QSEQVQMLPGJSKT-BFZIBUCPSA-N |
| Molecular Weight |
498.626 g/mol |
| SMILES |
C1([C@]2(C(C(NC=3C=C4CCC5=CC(N1)=C(CCC3C=C4)C=C5)=O)C(C2C=1C=CC=CC1)C1=CC=CC=C1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853466 |
![[2.2]Paracyclophane-4,15-[N',N''-1,2-diphenylcyclobutane-3,4-biscarbomide]](/api/spectrum/9MJtZoHXiXk/structure.png?h=300&w=458 "[2.2]Paracyclophane-4,15-[N',N''-1,2-diphenylcyclobutane-3,4-biscarbomide]")
