![Butyl 4-[(4-methylphenoxy)methyl]benzoate](/api/spectrum/3zy6UpiUsSp/structure.png?h=300&w=458 "Butyl 4-[(4-methylphenoxy)methyl]benzoate")
| SpectraBase Compound ID | LAdXDbYXebN |
|---|---|
| InChI | InChI=1S/C19H22O3/c1-3-4-13-21-19(20)17-9-7-16(8-10-17)14-22-18-11-5-15(2)6-12-18/h5-12H,3-4,13-14H2,1-2H3 |
| InChIKey | XRYCKRIUFFNFKP-UHFFFAOYSA-N |
| Mol Weight | 298.38 g/mol |
| Molecular Formula | C19H22O3 |
| Exact Mass | 298.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3zy6UpiUsSp |
|---|---|
| Name | Butyl 4-[(4-methylphenoxy)methyl]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.156894565 u |
| Formula | C19H22O3 |
| InChI | InChI=1S/C19H22O3/c1-3-4-13-21-19(20)17-9-7-16(8-10-17)14-22-18-11-5-15(2)6-12-18/h5-12H,3-4,13-14H2,1-2H3 |
| InChIKey | XRYCKRIUFFNFKP-UHFFFAOYSA-N |
| SMILES | C(C=1C=CC(=CC1)COC1=CC=C(C=C1)C)(=O)OCCCC |