| SpectraBase Compound ID | 97xxOkTFIyt |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-2-3-13-17(18)19-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3 |
| InChIKey | XYHJOLKOXFXOGW-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 | 8x3lSUpijMD |
|---|---|
| Name | Valeric acid, 2-biphenyl 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/c1-2-3-13-17(18)19-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3 |
| InChIKey | XYHJOLKOXFXOGW-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C(CCC)C(=O)OC1=C(C2=CC=CC=C2)C=CC=C1 |