![2-Butenal, 2-ethyl-4-(2,2,4-trimethyl-3-cyclopenten-1-yl)-, [R-(E)]-](/api/spectrum/CVl0Ch6hGxV/structure.png?h=300&w=458 "2-Butenal, 2-ethyl-4-(2,2,4-trimethyl-3-cyclopenten-1-yl)-, [R-(E)]-")
| SpectraBase Compound ID | LMlXKWYnHQI |
|---|---|
| InChI | InChI=1S/C14H22O/c1-5-12(10-15)6-7-13-8-11(2)9-14(13,3)4/h6,9-10,13H,5,7-8H2,1-4H3/b12-6+/t13-/m1/s1 |
| InChIKey | ODNLAWHQDBCTRC-XEVNVYFWSA-N |
| Mol Weight | 206.33 g/mol |
| Molecular Formula | C14H22O |
| Exact Mass | 206.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | CVl0Ch6hGxV |
|---|---|
| Name | 2-Butenal, 2-ethyl-4-(2,2,4-trimethyl-3-cyclopenten-1-yl)-, [R-(E)]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.167065327 u |
| Formula | C14H22O |
| InChI | InChI=1S/C14H22O/c1-5-12(10-15)6-7-13-8-11(2)9-14(13,3)4/h6,9-10,13H,5,7-8H2,1-4H3/b12-6+/t13-/m1/s1 |
| InChIKey | ODNLAWHQDBCTRC-XEVNVYFWSA-N |
| Molecular Weight | 206.329 g/mol |
| SMILES | C1(C=C(C)C[C@]1(C\C=C\(C=O)CC)[H])(C)C |