![2-Furancarboxylic acid, 3-[2-(2,3-dimethylphenyl)ethyl]-, methyl ester](/api/spectrum/bFGJFMjyaC/structure.png?h=300&w=458 "2-Furancarboxylic acid, 3-[2-(2,3-dimethylphenyl)ethyl]-, methyl ester")
| SpectraBase Compound ID | AsnYgGc0iih |
|---|---|
| InChI | InChI=1S/C16H18O3/c1-11-5-4-6-13(12(11)2)7-8-14-9-10-19-15(14)16(17)18-3/h4-6,9-10H,7-8H2,1-3H3 |
| InChIKey | GTVMJOUGULYEGK-UHFFFAOYSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C16H18O3 |
| Exact Mass | 258.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | bFGJFMjyaC |
|---|---|
| Name | 2-Furancarboxylic acid, 3-[2-(2,3-dimethylphenyl)ethyl]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.125594437 u |
| Formula | C16H18O3 |
| InChI | InChI=1S/C16H18O3/c1-11-5-4-6-13(12(11)2)7-8-14-9-10-19-15(14)16(17)18-3/h4-6,9-10H,7-8H2,1-3H3 |
| InChIKey | GTVMJOUGULYEGK-UHFFFAOYSA-N |
| Molecular Weight | 258.317 g/mol |
| SMILES | C1(=C(C=CO1)CCC=1C(=C(C)C=CC1)C)C(=O)OC |