| SpectraBase Compound ID | 10MYezbKrlS |
|---|---|
| InChI | InChI=1S/C13H18O4/c1-16-13(15)9-5-3-2-4-7-11(14)12-8-6-10-17-12/h6,8,10H,2-5,7,9H2,1H3 |
| InChIKey | YEJWQYJOGFNXRR-UHFFFAOYSA-N |
| Mol Weight | 238.28 g/mol |
| Molecular Formula | C13H18O4 |
| Exact Mass | 238.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1AQwXKeNQVd |
|---|---|
| Name | Methyl 7-(2-furoyl)heptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.120509056 u |
| Formula | C13H18O4 |
| InChI | InChI=1S/C13H18O4/c1-16-13(15)9-5-3-2-4-7-11(14)12-8-6-10-17-12/h6,8,10H,2-5,7,9H2,1H3 |
| InChIKey | YEJWQYJOGFNXRR-UHFFFAOYSA-N |
| Molecular Weight | 238.283 g/mol |
| SMILES | C=1C=COC1C(CCCCCCC(OC)=O)=O |