| SpectraBase Spectrum ID |
Hfns5D5n3SJ |
| Name |
Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 1-methyl-4-(1-methylethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
192.151415263 u |
| Formula |
C13H20O |
| InChI |
InChI=1S/C13H20O/c1-10(2)13-6-4-12(3,5-7-13)11(8-13)9-14/h4,6,9-11H,5,7-8H2,1-3H3/t11-,12+,13+/m1/s1 |
| InChIKey |
LXYNULJSTVMWAJ-AGIUHOORSA-N |
| Molecular Weight |
192.302 g/mol |
| SMILES |
[C@@]12([C@](C[C@](CC2)(C(C)C)C=C1)(C=O)[H])C |
| Spectrum/Structure Validation Score (Raman) |
0.950087 |
![Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 1-methyl-4-(1-methylethyl)-](/api/spectrum/Hfns5D5n3SJ/structure.png?h=300&w=458 "Bicyclo[2.2.2]oct-5-ene-2-carboxaldehyde, 1-methyl-4-(1-methylethyl)-")
