| SpectraBase Compound ID | LMRNH4y2Cgw |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-15-12(14)8-4-2-3-6-10(13)11-7-5-9-16-11/h5,7,9H,2-4,6,8H2,1H3 |
| InChIKey | NOLCBWIHGWBVRE-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJboZRmWCUw |
|---|---|
| Name | Methyl 6-(2-furoyl)hexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-15-12(14)8-4-2-3-6-10(13)11-7-5-9-16-11/h5,7,9H,2-4,6,8H2,1H3 |
| InChIKey | NOLCBWIHGWBVRE-UHFFFAOYSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C(CCCCCC(OC)=O)(=O)C=1OC=CC1 |