| SpectraBase Compound ID | 9wcXmGKk2SP |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-13(2)12-17(18)19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3 |
| InChIKey | WPLWOPJIKQMRAI-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 | 42FD1mkp77V |
|---|---|
| Name | Isovaleric acid, 4-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/c1-13(2)12-17(18)19-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3 |
| InChIKey | WPLWOPJIKQMRAI-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | CC(CC(=O)OC1=CC=C(C2=CC=CC=C2)C=C1)C |