| SpectraBase Compound ID | I2t8oVHKUB |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-7-12-17(9-5-2)23-19(21)16-11-8-10-15(14-16)18(20)22-13-6-3/h8,10-11,14,17H,4-7,9,12-13H2,1-3H3 |
| InChIKey | VUVGOHDDDBNMSX-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 | LKJMKFY2oXw |
|---|---|
| Name | Isophthalic acid, 4-octyl propyl 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/c1-4-7-12-17(9-5-2)23-19(21)16-11-8-10-15(14-16)18(20)22-13-6-3/h8,10-11,14,17H,4-7,9,12-13H2,1-3H3 |
| InChIKey | VUVGOHDDDBNMSX-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(OC(C1=CC(=CC=C1)C(OCCC)=O)=O)(CCC)CCCC |