| SpectraBase Spectrum ID |
83g1bdj4j72 |
| Name |
(5S,8R)-5,8-Dihydro-5,8-diphenyl-5,8-epoxy[6](1,4)naphthalenophane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.198365456 u |
| Formula |
C28H26O |
| InChI |
InChI=1S/C28H26O/c1-2-6-12-22-18-17-21(11-5-1)25-26(22)28(24-15-9-4-10-16-24)20-19-27(25,29-28)23-13-7-3-8-14-23/h3-4,7-10,13-20H,1-2,5-6,11-12H2/t27-,28+ |
| InChIKey |
UTMPPFTXISDFIQ-HNRBIFIRSA-N |
| Molecular Weight |
378.515 g/mol |
| SMILES |
[C@]12(O[C@@](C3=CC=CC=C3)(C=C1)C=1C2=C2C=CC1CCCCCC2)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8176 |
naphthalenophane](/api/spectrum/83g1bdj4j72/structure.png?h=300&w=458 "(5S,8R)-5,8-Dihydro-5,8-diphenyl-5,8-epoxy[6](1,4)naphthalenophane")
