| SpectraBase Spectrum ID |
GDgWSZdiQCq |
| Name |
(sp,R / rp,R)-4,15-Dihydroxy-5-I[1'-(1''-phenylethylimino)ethyl][2.2]paracyclophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.204179111 u |
| Formula |
C26H27NO2 |
| InChI |
InChI=1S/C26H27NO2/c1-17(20-6-4-3-5-7-20)27-18(2)25-22-11-9-19-8-10-21(24(28)16-19)12-14-23(15-13-22)26(25)29/h3-8,10,13,15-17,28-29H,9,11-12,14H2,1-2H3/b27-18+/t17-/m0/s1 |
| InChIKey |
YXUOOXPBZCVWAD-MRNPGAJDSA-N |
| Molecular Weight |
385.507 g/mol |
| SMILES |
C1(\C(=N\[C@](C2=CC=CC=C2)(C)[H])C)=C(C=2CCC=3C(=CC(CCC1=CC2)=CC3)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967774 |
![(Sp,R / Rp,R)-4,15-Dihydroxy-5-i[1'-(1"-phenylethylimino)ethyl][2.2]paracyclophane](/api/spectrum/GDgWSZdiQCq/structure.png?h=300&w=458 "(Sp,R / Rp,R)-4,15-Dihydroxy-5-i[1'-(1\"-phenylethylimino)ethyl][2.2]paracyclophane")
