| SpectraBase Compound ID | 5joLhquncut |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-5-6-7-8-9-12-16-25-21(23)19-13-10-11-14-20(19)22(24)26-17-15-18(2)3/h10-11,13-14,18H,4-9,12,15-17H2,1-3H3 |
| InChIKey | WHKOIRHWWDKORM-UHFFFAOYSA-N |
| Mol Weight | 362.5 g/mol |
| Molecular Formula | C22H34O4 |
| Exact Mass | 362.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8x2JEDBxhls |
|---|---|
| Name | Phthalic acid, 3-methylbutyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.245709571 u |
| Formula | C22H34O4 |
| InChI | InChI=1S/C22H34O4/c1-4-5-6-7-8-9-12-16-25-21(23)19-13-10-11-14-20(19)22(24)26-17-15-18(2)3/h10-11,13-14,18H,4-9,12,15-17H2,1-3H3 |
| InChIKey | WHKOIRHWWDKORM-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OCCCCCCCCC)=O)C(OCCC(C)C)=O |