| SpectraBase Compound ID | eT0jSZ47Lv |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-14(2)9-8-12-22-17(20)15-10-6-7-11-16(15)18(21)23-13-19(3,4)5/h6-7,10-11,14H,8-9,12-13H2,1-5H3 |
| InChIKey | YNMPBZKPYPGLNH-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 | 5OEwCXoueD7 |
|---|---|
| Name | Phthalic acid, isohexyl neopentyl 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/c1-14(2)9-8-12-22-17(20)15-10-6-7-11-16(15)18(21)23-13-19(3,4)5/h6-7,10-11,14H,8-9,12-13H2,1-5H3 |
| InChIKey | YNMPBZKPYPGLNH-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1=C(C(C(OCCCC(C)C)=O)=CC=C1)C(=O)OCC(C)(C)C |