| SpectraBase Compound ID | IkOPy4cf4Si |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-3-4-9-15-11-7-5-10(6-8-11)12(13)14-2/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | PUHCYTHGLBCWEA-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGhmfo07KlU |
|---|---|
| Name | Benzoic acid, 4-butyloxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-3-4-9-15-11-7-5-10(6-8-11)12(13)14-2/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | PUHCYTHGLBCWEA-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C1=CC(=CC=C1C(OC)=O)OCCCC |