| SpectraBase Spectrum ID |
1NN0UbjBz8Y |
| Name |
1-(3-Bicyclo[2.2.2]octanyl)-1,2,3,4,4A,5,6,7,8,8A-decahydronaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.234750966 u |
| Formula |
C18H30 |
| InChI |
InChI=1S/C18H30/c1-2-6-16-14(4-1)5-3-7-17(16)18-12-13-8-10-15(18)11-9-13/h13-18H,1-12H2 |
| InChIKey |
XMNNOFHOVNZLNM-UHFFFAOYSA-N |
| Molecular Weight |
246.438 g/mol |
| SMILES |
C1(C2C3C(CCCC3)CCC2)C2CCC(C1)CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977415 |
![1-(3-Bicyclo[2.2.2]octanyl)-1,2,3,4,4A,5,6,7,8,8A-decahydronaphthalene](/api/spectrum/1NN0UbjBz8Y/structure.png?h=300&w=458 "1-(3-Bicyclo[2.2.2]octanyl)-1,2,3,4,4A,5,6,7,8,8A-decahydronaphthalene")
