| SpectraBase Compound ID | CZYHQCTeAwc |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-10(13(15)16-2)7-8-11-5-3-4-6-12(11)9-14/h3-6,10,14H,7-9H2,1-2H3 |
| InChIKey | KOQZBYDKCLYORG-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 | In6JZCZfVU |
|---|---|
| Name | Methyl 4-(2-hydroxymethylphenyl)-2-methylbutanoate |
| 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(13(15)16-2)7-8-11-5-3-4-6-12(11)9-14/h3-6,10,14H,7-9H2,1-2H3 |
| InChIKey | KOQZBYDKCLYORG-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(C(CCC=1C(=CC=CC1)CO)C)(=O)OC |