| SpectraBase Compound ID | 24ovRnTP8fk |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-4-17-13(15)11-6-5-7-12(8-11)14(16)18-9-10(2)3/h5-8H,2,4,9H2,1,3H3 |
| InChIKey | FXAHNIAERYRWNQ-UHFFFAOYSA-N |
| Mol Weight | 248.28 g/mol |
| Molecular Formula | C14H16O4 |
| Exact Mass | 248.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FUWoDjsfv1M |
|---|---|
| Name | Isophthalic acid, ethyl 2-methylprop-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.104858991 u |
| Formula | C14H16O4 |
| InChI | InChI=1S/C14H16O4/c1-4-17-13(15)11-6-5-7-12(8-11)14(16)18-9-10(2)3/h5-8H,2,4,9H2,1,3H3 |
| InChIKey | FXAHNIAERYRWNQ-UHFFFAOYSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | C=C(C)COC(C1=CC(=CC=C1)C(OCC)=O)=O |