| SpectraBase Compound ID | ACnpMEDvSKI |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-10(2)7-8-16-13-11(9-14)5-4-6-12(13)15-3/h4-6,9-10H,7-8H2,1-3H3 |
| InChIKey | YXDBDUNVRLTQPU-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWYJ1KIM8tj |
|---|---|
| Name | 2-Hydroxy-3-methoxybenzaldehyde, 3-methylbutyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-10(2)7-8-16-13-11(9-14)5-4-6-12(13)15-3/h4-6,9-10H,7-8H2,1-3H3 |
| InChIKey | YXDBDUNVRLTQPU-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C1=C(C(=C(C=C1)OC)OCCC(C)C)C=O |