| SpectraBase Compound ID | 4Fgbo23eiZz |
|---|---|
| InChI | InChI=1S/C17H18O2/c1-2-6-14-9-11-16(12-10-14)17(18)19-13-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3 |
| InChIKey | QLXNGGLMBPBCES-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 | 1Q9gOlHazS0 |
|---|---|
| Name | Benzyl 4-propylbenzoate |
| 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/c1-2-6-14-9-11-16(12-10-14)17(18)19-13-15-7-4-3-5-8-15/h3-5,7-12H,2,6,13H2,1H3 |
| InChIKey | QLXNGGLMBPBCES-UHFFFAOYSA-N |
| Molecular Weight | 254.329 g/mol |
| SMILES | C=1(C(OCC2=CC=CC=C2)=O)C=CC(=CC1)CCC |