| SpectraBase Compound ID | HwyWGYD2ZLx |
|---|---|
| InChI | InChI=1S/C18H20O2/c1-3-4-8-15-10-12-16(13-11-15)18(19)20-17-9-6-5-7-14(17)2/h5-7,9-13H,3-4,8H2,1-2H3 |
| InChIKey | IYCRQCXQQXPARQ-UHFFFAOYSA-N |
| Mol Weight | 268.36 g/mol |
| Molecular Formula | C18H20O2 |
| Exact Mass | 268.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Jxd4E8jLUU |
|---|---|
| Name | 4-Butylbenzoic acid, 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.146329882 u |
| Formula | C18H20O2 |
| InChI | InChI=1S/C18H20O2/c1-3-4-8-15-10-12-16(13-11-15)18(19)20-17-9-6-5-7-14(17)2/h5-7,9-13H,3-4,8H2,1-2H3 |
| InChIKey | IYCRQCXQQXPARQ-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1C)OC(C=1C=CC(=CC1)CCCC)=O |