| SpectraBase Compound ID | Ixm6zxUGeK8 |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-14-12(13)9-5-3-2-4-7-11-8-6-10-15-11/h6,8,10H,2-5,7,9H2,1H3 |
| InChIKey | MLCMZHMBYZSXCC-UHFFFAOYSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52ZC7TlSDAv |
|---|---|
| Name | Methyl 7-(2-furyl)heptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-14-12(13)9-5-3-2-4-7-11-8-6-10-15-11/h6,8,10H,2-5,7,9H2,1H3 |
| InChIKey | MLCMZHMBYZSXCC-UHFFFAOYSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C=1C=C(CCCCCCC(OC)=O)OC1 |