| SpectraBase Compound ID | LdT3BZyiim4 |
|---|---|
| InChI | InChI=1S/C14H16O2/c1-2-6-12(11-7-4-3-5-8-11)13-9-10-16-14(13)15/h3-5,7-9,12H,2,6,10H2,1H3 |
| InChIKey | PWUQXHJUXQWSJI-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C14H16O2 |
| Exact Mass | 216.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBC5x8NLTyM |
|---|---|
| Name | 3-(1-Phenylbutyl)furan-2(5H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.115029753 u |
| Formula | C14H16O2 |
| InChI | InChI=1S/C14H16O2/c1-2-6-12(11-7-4-3-5-8-11)13-9-10-16-14(13)15/h3-5,7-9,12H,2,6,10H2,1H3 |
| InChIKey | PWUQXHJUXQWSJI-UHFFFAOYSA-N |
| Molecular Weight | 216.280 g/mol |
| SMILES | C=1(C(OCC1)=O)C(C=1C=CC=CC1)CCC |