| SpectraBase Compound ID | IzGUZo0s4vB |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-7-9-15(6-3)14-23-19(21)17-11-8-10-16(13-17)18(20)22-12-5-2/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3 |
| InChIKey | IXENKEPFBKQJMW-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 | 56gbwtxWEqK |
|---|---|
| Name | Isophthalic acid, 2-ethylhexyl 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/c1-4-7-9-15(6-3)14-23-19(21)17-11-8-10-16(13-17)18(20)22-12-5-2/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3 |
| InChIKey | IXENKEPFBKQJMW-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCCOC(C=1C=C(C(OCC(CCCC)CC)=O)C=CC1)=O |