| SpectraBase Compound ID | JdF5eMf6sjo |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-2-3-8-17-14(16)12-9-10-6-4-5-7-11(10)13(15)18-12/h4-7,12H,2-3,8-9H2,1H3 |
| InChIKey | SOACZEKLCAOMDI-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C14H16O4 |
| Exact Mass | 248.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ORwDybtWvP |
|---|---|
| Name | Butyl 1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.104858991 u |
| Formula | C14H16O4 |
| InChI | InChI=1S/C14H16O4/c1-2-3-8-17-14(16)12-9-10-6-4-5-7-11(10)13(15)18-12/h4-7,12H,2-3,8-9H2,1H3 |
| InChIKey | SOACZEKLCAOMDI-UHFFFAOYSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | C1(OC(C(=O)OCCCC)CC=2C1=CC=CC2)=O |