| SpectraBase Spectrum ID |
I301uMY6p35 |
| Name |
(3aR,6aR)-3,6-Bis(4-(hexyloxy)phenyl)-1,3a,4,6a-tetrahydropentalene |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.318480590 u |
| Formula |
C32H42O2 |
| InChI |
InChI=1S/C32H42O2/c1-3-5-7-9-23-33-27-15-11-25(12-16-27)29-19-21-32-30(20-22-31(29)32)26-13-17-28(18-14-26)34-24-10-8-6-4-2/h11-20,31-32H,3-10,21-24H2,1-2H3/t31-,32-/m0/s1 |
| InChIKey |
NDBWGGLKBPGKCD-ACHIHNKUSA-N |
| Instrument Name |
Varian MAT 711 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900947 |
| Molecular Weight |
458.686 g/mol |
| Optical Rotation |
[a]D20 = -20.8 (c = 4.93 mg/mL, CH2Cl2) |
| Quality |
230 |
| Reported Formula |
C32H42O2 |
| SMILES |
C1C=C([C@]2([C@@]1(C(=CC2)C1=CC=C(C=C1)OCCCCCC)[H])[H])C1=CC=C(C=C1)OCCCCCC |
| SPLASH |
splash10-0a4i-0110900000-2c0e396423e38ca953c1 |
| Source of Spectrum |
QE-25-SM20-4b (DOI: 10.1002/chem.201900947) |
| Thin-Layer Chromatography |
0.81 (hexanes/EtOAc, 25:1, KMnO4) |
| Wiley ID |
1893811 |
