| SpectraBase Compound ID | 9Wfnus6NTpe |
|---|---|
| InChI | InChI=1S/C14H18O2/c1-3-5-6-12-7-9-13(10-8-12)14(15)16-11-4-2/h4,7-10H,2-3,5-6,11H2,1H3 |
| InChIKey | KNWFJQONTHYOLS-UHFFFAOYSA-N |
| Mol Weight | 218.3 g/mol |
| Molecular Formula | C14H18O2 |
| Exact Mass | 218.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZsYwRlfcHr |
|---|---|
| Name | 4-N-Butylbenzoic acid, allyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.130679818 u |
| Formula | C14H18O2 |
| InChI | InChI=1S/C14H18O2/c1-3-5-6-12-7-9-13(10-8-12)14(15)16-11-4-2/h4,7-10H,2-3,5-6,11H2,1H3 |
| InChIKey | KNWFJQONTHYOLS-UHFFFAOYSA-N |
| Molecular Weight | 218.296 g/mol |
| SMILES | C(OC(C=1C=CC(CCCC)=CC1)=O)C=C |