| SpectraBase Spectrum ID |
38zXVE2Y2t0 |
| Name |
3,8,13-Trioxaoctacyclo[13.2.2.2(6,10).0(2,14).0(4,17).0(5,11).0(7,9).0(12,16)]uneicosane |
| Alternate Name(s) |
12,17,21-trioxaoctacyclo[13.3.2.1(3,10).0(2,14).0(4,9).0(5,13).0(6,11).0(16,18)]henicosane
Henicosane |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O3 |
| InChI |
InChI=1S/C18H22O3/c1-2-6-10-9(5(1)13-14(6)19-13)17-11-7-3-4-8-12(11)18(10)21-16(8)15(7)20-17/h5-18H,1-4H2/t5?,6?,7-,8+,9?,10?,11-,12+,13?,14?,15+,16-,17?,18? |
| InChIKey |
HOAJCPLQPDKRFB-WQVYWWNLSA-N |
| Molecular Weight |
286.371 g/mol |
| SMILES |
C12C(C3C4C5[C@@]6([C@]7(CC[C@]8([C@@]6(C(C4C2CC3)O[C@]8([C@]7(O5)[H])[H])[H])[H])[H])[H])O1 |
| SPLASH |
splash10-014r-0950000000-867dd2c0022bb7e723ec |
| Source of Spectrum |
QA-45-803-17 |
| Wiley ID |
862973 |
![3,8,13-Trioxaoctacyclo[13.2.2.2(6,10).0(2,14).0(4,17).0(5,11).0(7,9).0(12,16)]uneicosane](/api/spectrum/38zXVE2Y2t0/structure.png?h=300&w=458 "3,8,13-Trioxaoctacyclo[13.2.2.2(6,10).0(2,14).0(4,17).0(5,11).0(7,9).0(12,16)]uneicosane")
