| SpectraBase Compound ID | FuQjP65Psiz |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-3-5-10-17-14-9-7-8-13(12-14)15(16)18-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3 |
| InChIKey | PKIMTBWBQJAVEU-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkMeROhJqZQ |
|---|---|
| Name | Benzoic acid, 3-butyloxy-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-3-5-10-17-14-9-7-8-13(12-14)15(16)18-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3 |
| InChIKey | PKIMTBWBQJAVEU-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C1=C(C=CC=C1C(OCCCC)=O)OCCCC |