| SpectraBase Compound ID | JeCWD7GLSSK |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-14(2)7-6-11-22-18(20)16-8-5-9-17(13-16)19(21)23-12-10-15(3)4/h5,8-10,13-14H,6-7,11-12H2,1-4H3 |
| InChIKey | SDNDULSPKLCURE-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 | DutiKVp21UN |
|---|---|
| Name | Isophthalic acid, isohexyl 3-methylbut-2-en-1-yl 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/c1-14(2)7-6-11-22-18(20)16-8-5-9-17(13-16)19(21)23-12-10-15(3)4/h5,8-10,13-14H,6-7,11-12H2,1-4H3 |
| InChIKey | SDNDULSPKLCURE-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | CC(C)CCCOC(C=1C=C(C(OCC=C(C)C)=O)C=CC1)=O |