![[2-(4'-Methyl-3'-pentenyl)cyclopentanyl]-carboxaldehyde](/api/spectrum/CYqeuYhGIXM/structure.png?h=300&w=458 "[2-(4'-Methyl-3'-pentenyl)cyclopentanyl]-carboxaldehyde")
| SpectraBase Compound ID | FofbTorvUdI |
|---|---|
| InChI | InChI=1S/C12H20O/c1-10(2)5-3-6-11-7-4-8-12(11)9-13/h5,9,11-12H,3-4,6-8H2,1-2H3 |
| InChIKey | PIMCDVSTDSLXCW-UHFFFAOYSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYqeuYhGIXM |
|---|---|
| Name | [2-(4'-Methyl-3'-pentenyl)cyclopentanyl]-carboxaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-10(2)5-3-6-11-7-4-8-12(11)9-13/h5,9,11-12H,3-4,6-8H2,1-2H3 |
| InChIKey | PIMCDVSTDSLXCW-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C(=CCCC1C(C=O)CCC1)(C)C |