| SpectraBase Compound ID | 1xEIXczK4Hp |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-5-6-7-10-14-23-19(21)17-11-8-9-12-18(17)20(22)24-15-13-16(2)3/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3 |
| InChIKey | QWJXFFIACXWPCT-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L9oW9BisE0x |
|---|---|
| Name | Phthalic acid, heptyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-4-5-6-7-10-14-23-19(21)17-11-8-9-12-18(17)20(22)24-15-13-16(2)3/h8-9,11-12,16H,4-7,10,13-15H2,1-3H3 |
| InChIKey | QWJXFFIACXWPCT-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OCCCCCCC)=O)C(OCCC(C)C)=O |