| SpectraBase Compound ID | IIWTQvyIM2F |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-3-4-8-12(15(16)17-2)14-10-11-7-5-6-9-13(11)18-14/h5-7,9-10,12H,3-4,8H2,1-2H3 |
| InChIKey | LTZUNSWXMYIQAE-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EVGfVjSIwr7 |
|---|---|
| Name | 2-Benzofuran-2-ylhexanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.125594437 u |
| Formula | C15H18O3 |
| InChI | InChI=1S/C15H18O3/c1-3-4-8-12(15(16)17-2)14-10-11-7-5-6-9-13(11)18-14/h5-7,9-10,12H,3-4,8H2,1-2H3 |
| InChIKey | LTZUNSWXMYIQAE-UHFFFAOYSA-N |
| Molecular Weight | 246.306 g/mol |
| SMILES | C=1C=C2C=C(C(CCCC)C(OC)=O)OC2=CC1 |