| SpectraBase Compound ID | DnZqo8oKPZh |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-19-17(18)13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3 |
| InChIKey | KONORNDPKQTLGG-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C17H18O2 |
| Exact Mass | 254.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQghDvHtz4s |
|---|---|
| Name | Benzenebutanoic acid, .gamma.-phenyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.130679818 u |
| Formula | C17H18O2 |
| InChI | InChI=1S/C17H18O2/c1-19-17(18)13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3 |
| InChIKey | KONORNDPKQTLGG-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C(CCC(=O)OC)(C1=CC=CC=C1)C=1C=CC=CC1 |