| SpectraBase Compound ID | 4VTN2U3KYTu |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-4-5-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(2)3/h7-8,10-11H,2,4-6,9,12-13H2,1,3H3 |
| InChIKey | QRDQXANHQQCGDQ-UHFFFAOYSA-N |
| Mol Weight | 304.39 g/mol |
| Molecular Formula | C18H24O4 |
| Exact Mass | 304.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZhhvmQNAMh |
|---|---|
| Name | Phthalic acid, hexyl 2-methylallyl 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/c1-4-5-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-13-14(2)3/h7-8,10-11H,2,4-6,9,12-13H2,1,3H3 |
| InChIKey | QRDQXANHQQCGDQ-UHFFFAOYSA-N |
| SMILES | C(COC(C1=C(C=CC=C1)C(=O)OCC(C)=C)=O)CCCC |