| SpectraBase Spectrum ID |
8YmAPCan3Sg |
| Name |
3,3'-bis( 6-Hydroxy-2-hexyn-1-yl)-[2.2]-paracyclophane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H32O2 |
| InChI |
InChI=1S/C28H32O2/c1-3-5-7-9-27(29)25-19-21-11-12-22-14-16-24(18-17-23(25)15-13-21)26(20-22)28(30)10-8-6-4-2/h13-16,19-20,27-30H,3-6,11-12,17-18H2,1-2H3/t27-,28-/m1/s1 |
| InChIKey |
IZUACQAMESLYCA-VSGBNLITSA-N |
| Molecular Weight |
400.562 g/mol |
| SMILES |
O[C@@](c1c2CCc3c([C@@](C#CCCC)(O)[H])cc(CCc(c1)cc2)cc3)(C#CCCC)[H] |
| SPLASH |
splash10-001i-0903000000-5c11b4e3effc64555df8 |
| Source of Spectrum |
HE-2005-641-2 |
| Wiley ID |
1613676 |
![3,3'-bis( 6-Hydroxy-2-hexyn-1-yl)-[2.2]-paracyclophane](/api/spectrum/8YmAPCan3Sg/structure.png?h=300&w=458 "3,3'-bis( 6-Hydroxy-2-hexyn-1-yl)-[2.2]-paracyclophane")
