| SpectraBase Spectrum ID |
KjqO7cpAgdJ |
| Name |
cis-5-Ethyl-6-methyl-5-propionyl-1,3-cycvlohexadienecarbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-4-12(15)13(5-2)8-6-7-11(9-14)10(13)3/h6-10H,4-5H2,1-3H3/t10-,13+/m1/s1 |
| InChIKey |
DKQRZMFSQKJKNB-MFKMUULPSA-N |
| Molecular Weight |
206.285 g/mol |
| SMILES |
[C@@]1([C@@](C(C=O)=CC=C1)(C)[H])(C(=O)CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835677 |
