| SpectraBase Spectrum ID |
4fUWrhOyGAh |
| Name |
Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-; formylpinan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
166.135765199 u |
| Formula |
C11H18O |
| InChI |
InChI=1S/C11H18O/c1-7-8(6-12)4-9-5-10(7)11(9,2)3/h6-10H,4-5H2,1-3H3/t7-,8+,9+,10+/m0/s1 |
| InChIKey |
VUNCLQCPKWLBRY-SGIHWFKDSA-N |
| Molecular Weight |
166.264 g/mol |
| SMILES |
[C@@]12([C@]([C@](C[C@@](C2(C)C)(C1)[H])(C=O)[H])(C)[H])[H] |
| Spectrum/Structure Validation Score (Raman) |
0.823924 |
![Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-; formylpinan](/api/spectrum/4fUWrhOyGAh/structure.png?h=300&w=458 "Bicyclo[3.1.1]heptane-3-carboxaldehyde, 2,6,6-trimethyl-; formylpinan")
