| SpectraBase Compound ID | IGeEORO7oy1 |
|---|---|
| InChI | InChI=1S/C9H19NO/c1-3-4-5-6-7-8-9-10-11-2/h9H,3-8H2,1-2H3/b10-9- |
| InChIKey | MNPSWFBVAFHEKP-KTKRTIGZSA-N |
| Mol Weight | 157.26 g/mol |
| Molecular Formula | C9H19NO |
| Exact Mass | 157.146664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdlA11MXfDk |
|---|---|
| Name | Octanal, 1meox |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.146664235 u |
| Formula | C9H19NO |
| InChI | InChI=1S/C9H19NO/c1-3-4-5-6-7-8-9-10-11-2/h9H,3-8H2,1-2H3/b10-9- |
| InChIKey | MNPSWFBVAFHEKP-KTKRTIGZSA-N |
| Molecular Weight | 157.257 g/mol |
| SMILES | CCCCCCC\C=N/OC |