| SpectraBase Compound ID | JuMqjHJDSRr |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-11H,4-5,8,12-13H2,1-3H3 |
| InChIKey | XLCOIMWPIVGFED-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 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 | 8ElJ2byhAID |
|---|---|
| Name | Phthalic acid, 3-methylbut-2-en-1-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.167459249 u |
| Formula | C18H24O4 |
| InChI | InChI=1S/C18H24O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-11H,4-5,8,12-13H2,1-3H3 |
| InChIKey | XLCOIMWPIVGFED-UHFFFAOYSA-N |
| SMILES | C1(=C(C=CC=C1)C(OCC=C(C)C)=O)C(OCCCCC)=O |