| SpectraBase Compound ID | EQ7xxC4qVPi |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-5-6-7-8-9-13-22-18(20)16-11-10-12-17(14-16)19(21)23-15(2)3/h10-12,14-15H,4-9,13H2,1-3H3 |
| InChIKey | CKZPVCLSHTYLRZ-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 | XK7va66wQ1 |
|---|---|
| Name | Isophthalic acid, isopropyl octyl 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/c1-4-5-6-7-8-9-13-22-18(20)16-11-10-12-17(14-16)19(21)23-15(2)3/h10-12,14-15H,4-9,13H2,1-3H3 |
| InChIKey | CKZPVCLSHTYLRZ-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(OC(C1=CC(C(OCCCCCCCC)=O)=CC=C1)=O)(C)C |