| SpectraBase Spectrum ID |
FPfzOyCiEP8 |
| Name |
12-Oxatricyclo[7.2.1.01,4]dodeca-5,7-diene-5-carboxaldehyde, 2,2,9-trimethyl-, [1S-(1.alpha.,4.beta.,9.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.146329882 u |
| Formula |
C15H20O2 |
| InChI |
InChI=1S/C15H20O2/c1-13(2)9-12-11(10-16)5-4-6-14(3)7-8-15(12,13)17-14/h4-6,10,12H,7-9H2,1-3H3/b6-4-,11-5-/t12-,14-,15+/m1/s1 |
| InChIKey |
FJYYNRLYIYGEOY-MNRPPXDRSA-N |
| Molecular Weight |
232.323 g/mol |
| SMILES |
[C@]123[C@](\C(=C/C=C\[C@](O3)(C)CC1)C=O)([H])CC2(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960704 |
![12-Oxatricyclo[7.2.1.01,4]dodeca-5,7-diene-5-carboxaldehyde, 2,2,9-trimethyl-, [1S-(1.alpha.,4.beta.,9.alpha.)]-](/api/spectrum/FPfzOyCiEP8/structure.png?h=300&w=458 "12-Oxatricyclo[7.2.1.01,4]dodeca-5,7-diene-5-carboxaldehyde, 2,2,9-trimethyl-, [1S-(1.alpha.,4.beta.,9.alpha.)]-")
