| SpectraBase Spectrum ID |
AEDSpkQ9pqA |
| Name |
(3aR,6aR)-3-(4-(Hex-5-yn-1-yloxy)phenyl)-6-phenyl-1,3a,4,6a-tetrahydro-pentalene |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H26O |
| InChI |
InChI=1S/C26H26O/c1-2-3-4-8-19-27-22-13-11-21(12-14-22)24-16-18-25-23(15-17-26(24)25)20-9-6-5-7-10-20/h1,5-7,9-16,25-26H,3-4,8,17-19H2/t25-,26-/m0/s1 |
| InChIKey |
URZWPHRJDODUCU-UIOOFZCWSA-N |
| Instrument Name |
Varian MAT 711 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cctc.202001997 |
| Molecular Weight |
354.493 g/mol |
| Optical Rotation |
[a]D20 = -178 (c = 1.00 mg/mL, CHCl3) |
| Reported Formula |
C26H26O |
| SMILES |
c1cccc(c1)C=1[C@]2([C@@](CC1)(C(=CC2)c1ccc(cc1)OCCCCC#C)[H])[H] |
| SPLASH |
splash10-0udi-1119000000-d9b1bd38a4a91b10d477 |
| Source of Spectrum |
CCC-13-SM9-L1 |
| Thin-Layer Chromatography |
Rf = 0.42 (hexanes/EtOAc, 25:1) |
| Wiley ID |
1854326 |
