| SpectraBase Compound ID | 1lWIZv0wflg |
|---|---|
| InChI | InChI=1S/C15H18O4/c1-4-8-18-14(16)12-6-5-7-13(9-12)15(17)19-10-11(2)3/h4-7,9,11H,1,8,10H2,2-3H3 |
| InChIKey | MWTYKDYHSPBAIQ-UHFFFAOYSA-N |
| Mol Weight | 262.3 g/mol |
| Molecular Formula | C15H18O4 |
| Exact Mass | 262.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zim4nao4Fa |
|---|---|
| Name | Isophthalic acid, allyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.120509056 u |
| Formula | C15H18O4 |
| InChI | InChI=1S/C15H18O4/c1-4-8-18-14(16)12-6-5-7-13(9-12)15(17)19-10-11(2)3/h4-7,9,11H,1,8,10H2,2-3H3 |
| InChIKey | MWTYKDYHSPBAIQ-UHFFFAOYSA-N |
| Molecular Weight | 262.305 g/mol |
| SMILES | C1=CC=C(C=C1C(OCC=C)=O)C(OCC(C)C)=O |