| SpectraBase Spectrum ID |
7ZqYoAhdILJ |
| Name |
Anti-2,12-dioxanonacyclo[13.5.1.1(3,9).0(4,8).0(7,11).0(11,13).0(13,17).0(16,20)]docosane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.177630011 u |
| Formula |
C20H24O2 |
| InChI |
InChI=1S/C20H24O2/c1-2-12-15-9-5-17(11(1)15)19(21-17)7-10-8-20(18(12,6-9)22-20)14-4-3-13(19)16(10)14/h9-16H,1-8H2/t9?,10?,11?,12?,13?,14?,15?,16?,17-,18+,19-,20+ |
| InChIKey |
TWFQLDYORZRRKD-XWRNBJSBSA-N |
| SMILES |
[C@]123[C@@]4(C5C6C(CC5)[C@]5([C@@]7(CC(C1)C1C7CCC21)O5)CC6C4)O3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928031 |
![Anti-2,12-dioxanonacyclo[13.5.1.1(3,9).0(4,8).0(7,11).0(11,13).0(13,17).0(16,20)]docosane](/api/spectrum/7ZqYoAhdILJ/structure.png?h=300&w=458 "Anti-2,12-dioxanonacyclo[13.5.1.1(3,9).0(4,8).0(7,11).0(11,13).0(13,17).0(16,20)]docosane")
