| SpectraBase Compound ID | 1Mzi6GbhyiA |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-4-5-6-7-10-13-22-18(20)16-11-8-9-12-17(16)19(21)23-14-15(2)3/h8-9,11-12H,2,4-7,10,13-14H2,1,3H3 |
| InChIKey | HUSVQSQKHZVPDN-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4R4N7U2DMr |
|---|---|
| Name | Phthalic acid, heptyl 2-methylallyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-4-5-6-7-10-13-22-18(20)16-11-8-9-12-17(16)19(21)23-14-15(2)3/h8-9,11-12H,2,4-7,10,13-14H2,1,3H3 |
| InChIKey | HUSVQSQKHZVPDN-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(OC(C1=C(C=CC=C1)C(=O)OCC(=C)C)=O)CCCCCC |