| SpectraBase Compound ID | Dg0RSgQKbBV |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-6-7-8-12-22-18(20)16-10-9-11-17(13-16)19(21)23-15(4)14(2)3/h9-11,13-15H,5-8,12H2,1-4H3 |
| InChIKey | MHVSGFYMADTSEZ-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ahzbs3klHHz |
|---|---|
| Name | Isophthalic acid, hexyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-5-6-7-8-12-22-18(20)16-10-9-11-17(13-16)19(21)23-15(4)14(2)3/h9-11,13-15H,5-8,12H2,1-4H3 |
| InChIKey | MHVSGFYMADTSEZ-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(C(OC(C1=CC(C(OCCCCCC)=O)=CC=C1)=O)C)(C)C |