| SpectraBase Compound ID | 2vTMHBf7yi5 |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-3-9(2)13-11-6-4-10(8-12)5-7-11/h4-9H,3H2,1-2H3 |
| InChIKey | XQCGUGAYXITWSF-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWQsPE3fKQM |
|---|---|
| Name | 4-(but-2-oxy)Benzaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-3-9(2)13-11-6-4-10(8-12)5-7-11/h4-9H,3H2,1-2H3 |
| InChIKey | XQCGUGAYXITWSF-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C=O)(CC)C |