| SpectraBase Compound ID | 3KqLnS0x19o |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-14(2)8-7-12-22-18(20)16-9-5-6-10-17(16)19(21)23-13-11-15(3)4/h5-6,9-10,14H,3,7-8,11-13H2,1-2,4H3 |
| InChIKey | ODRADBFARMYZRD-UHFFFAOYSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5Ktm2nI8yOm |
|---|---|
| Name | Phthalic acid, isohexyl 3-methylbut-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-14(2)8-7-12-22-18(20)16-9-5-6-10-17(16)19(21)23-13-11-15(3)4/h5-6,9-10,14H,3,7-8,11-13H2,1-2,4H3 |
| InChIKey | ODRADBFARMYZRD-UHFFFAOYSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCC(C)C)=O)C(OCCC(C)=C)=O |