| SpectraBase Compound ID | 51b1tVDmuqQ |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-3-5-6-7-8-9-14-23-19(21)17-12-10-11-16(15-17)18(20)22-13-4-2/h10-12,15H,3-9,13-14H2,1-2H3 |
| InChIKey | INUWGBYJVRBQBS-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 | IjyX6YbtlJW |
|---|---|
| Name | Isophthalic acid, 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/c1-3-5-6-7-8-9-14-23-19(21)17-12-10-11-16(15-17)18(20)22-13-4-2/h10-12,15H,3-9,13-14H2,1-2H3 |
| InChIKey | INUWGBYJVRBQBS-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | CCCCCCCCOC(C=1C=C(C(OCCC)=O)C=CC1)=O |