| SpectraBase Compound ID | 9gNyPqqi4bj |
|---|---|
| InChI | InChI=1S/C18H24O4/c1-13(2)7-6-12-21-17(19)15-10-3-4-11-16(15)18(20)22-14-8-5-9-14/h3-4,10-11,13-14H,5-9,12H2,1-2H3 |
| InChIKey | NBXFORILAOMLMA-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 | LVBJiTeMHng |
|---|---|
| Name | Phthalic acid, cyclobutyl isohexyl 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/c1-13(2)7-6-12-21-17(19)15-10-3-4-11-16(15)18(20)22-14-8-5-9-14/h3-4,10-11,13-14H,5-9,12H2,1-2H3 |
| InChIKey | NBXFORILAOMLMA-UHFFFAOYSA-N |
| SMILES | C1CC(C1)OC(C1=C(C=CC=C1)C(=O)OCCCC(C)C)=O |