| SpectraBase Compound ID | 1WvTw1BI1YF |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-8(7-10)5-4-6-9(11-2)12-3/h9-10H,1,4-7H2,2-3H3 |
| InChIKey | BBHZVBYQWDEYDG-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FEpOA37xNxy |
|---|---|
| Name | 1-Hexanol, 6,6-dimethoxy-2-methylene- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-8(7-10)5-4-6-9(11-2)12-3/h9-10H,1,4-7H2,2-3H3 |
| InChIKey | BBHZVBYQWDEYDG-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(=C)(CO)CCCC(OC)OC |