| SpectraBase Spectrum ID |
JNC5UFOLuMg |
| Name |
(1R*,8S*,9R*,14S*)-10,12-Diphenyl-15-oxatetracyclo[6.6.1.0(2,7).0(9,14)]pentadeca-2,4,6,10,12-pentaene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.151415263 u |
| Formula |
C26H20O |
| InChI |
InChI=1S/C26H20O/c1-3-9-17(10-4-1)19-15-22(18-11-5-2-6-12-18)24-23(16-19)25-20-13-7-8-14-21(20)26(24)27-25/h1-16,23-26H/t23-,24-,25-,26+/m0/s1 |
| InChIKey |
PPAFNGHYRRZMRZ-ASDGIDEWSA-N |
| Molecular Weight |
348.445 g/mol |
| SMILES |
C=1([C@]2([C@]([C@@]3([H])O[C@@]2(C=2C3=CC=CC2)[H])([H])C=C(C1)C1=CC=CC=C1)[H])C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911148 |
![(1R*,8S*,9R*,14S*)-10,12-Diphenyl-15-oxatetracyclo[6.6.1.0(2,7).0(9,14)]pentadeca-2,4,6,10,12-pentaene](/api/spectrum/JNC5UFOLuMg/structure.png?h=300&w=458 "(1R*,8S*,9R*,14S*)-10,12-Diphenyl-15-oxatetracyclo[6.6.1.0(2,7).0(9,14)]pentadeca-2,4,6,10,12-pentaene")
