| SpectraBase Compound ID | 1W0nIJ3Pu54 |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-3-4-5-9-6-7-10(12)11(8-9)13-2/h6-8,12H,3-5H2,1-2H3 |
| InChIKey | JELKTTPLDWFYNC-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8W1mbuWBFLm |
|---|---|
| Name | Guaiacol, 4-butyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-3-4-5-9-6-7-10(12)11(8-9)13-2/h6-8,12H,3-5H2,1-2H3 |
| InChIKey | JELKTTPLDWFYNC-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | C1(=C(C=C(C=C1)CCCC)OC)O |