| SpectraBase Compound ID | BAIPlQwqOHB |
|---|---|
| InChI | InChI=1S/C14H16O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3,5-7,10H,1,4,8-9H2,2H3 |
| InChIKey | CWDPQAQBEBUUHL-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 | HdPiz2HnTt6 |
|---|---|
| Name | Isophthalic acid, allyl propyl 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/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3,5-7,10H,1,4,8-9H2,2H3 |
| InChIKey | CWDPQAQBEBUUHL-UHFFFAOYSA-N |
| Molecular Weight | 248.278 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OCC=C)=O)C(OCCC)=O |