| SpectraBase Spectrum ID |
LjJQetYUaFu |
| Name |
[rp, S, S]-1-Hydroxy-2-{1'-[N-(2''-cyclohexyl)imino]ethyl}-[2.2]paracyclophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.266779369 u |
| Formula |
C31H35NO2 |
| InChI |
InChI=1S/C31H35NO2/c1-22(32-28-9-5-6-10-29(28)34-21-25-7-3-2-4-8-25)30-26-17-15-23-11-13-24(14-12-23)16-18-27(20-19-26)31(30)33/h2-4,7-8,11-14,19-20,28-29,33H,5-6,9-10,15-18,21H2,1H3/b32-22+ |
| InChIKey |
QNZDLTOURGTGSM-WEMUVCOSSA-N |
| Molecular Weight |
453.626 g/mol |
| SMILES |
C=1(\C(=N\C2C(OCC3=CC=CC=C3)CCCC2)C)C(=C2C=CC1CCC1=CC=C(CC2)C=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868935 |
![[Rp, S, S]-1-Hydroxy-2-{1'-[N-(2"-<benzyloxy>cyclohexyl)imino]ethyl}-[2.2]paracyclophane](/api/spectrum/LjJQetYUaFu/structure.png?h=300&w=458 "[Rp, S, S]-1-Hydroxy-2-{1'-[N-(2\"-<benzyloxy>cyclohexyl)imino]ethyl}-[2.2]paracyclophane")
