| SpectraBase Spectrum ID |
HNNeuPuahOZ |
| Name |
(3aR,6aR)-3,6-Bis(4-(hex-5-yn-1-yloxy)phenyl)-1,3a,4,6a-tetrahydropentalene |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.255880333 u |
| Formula |
C32H34O2 |
| InChI |
InChI=1S/C32H34O2/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/h1-2,11-20,31-32H,5-10,21-24H2/t31-,32-/m0/s1 |
| InChIKey |
DEMPNQFBWHEQDC-ACHIHNKUSA-N |
| Instrument Name |
Varian MAT 711 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201900947 |
| Molecular Weight |
450.622 g/mol |
| Optical Rotation |
[a]D20 = -8.8 [c = 8.67 mg/mL, CH2Cl2] |
| Quality |
225 |
| Reported Formula |
C32H34O2 |
| SMILES |
C1C=C([C@]2([C@@]1(C(=CC2)C1=CC=C(C=C1)OCCCCC#C)[H])[H])C1=CC=C(C=C1)OCCCCC#C |
| SPLASH |
splash10-0udi-0000900000-eec08d1116785bc72dd9 |
| Sample Comments |
90oC |
| Source of Spectrum |
QE-25-SM20-4c (DOI: 10.1002/chem.201900947) |
| Thin-Layer Chromatography |
0.38 (hexanes/EtOA, 25:1, KMnO4) |
| Wiley ID |
1893812 |
