| SpectraBase Compound ID | G1YHHEDTwSp |
|---|---|
| InChI | InChI=1S/C12H22O/c1-4-5-6-7-12(8-9-13)10-11(2)3/h9-10,12H,4-8H2,1-3H3 |
| InChIKey | PHNFAOPGTOYPNG-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HvmlY2ZmyI |
|---|---|
| Name | 3-(2-Methylprop-1-en-1-yl)octanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-4-5-6-7-12(8-9-13)10-11(2)3/h9-10,12H,4-8H2,1-3H3 |
| InChIKey | PHNFAOPGTOYPNG-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | CCCCCC(C=C(C)C)CC=O |