| SpectraBase Compound ID | 7UMOUwYN5uL |
|---|---|
| InChI | InChI=1S/C22H34O4/c1-4-5-6-7-8-9-13-17-25-20(23)22(2,3)21(24)26-18-16-19-14-11-10-12-15-19/h10-12,14-15H,4-9,13,16-18H2,1-3H3 |
| InChIKey | GPZWTOWMOWLMDO-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 | 5AaUaWDjDIF |
|---|---|
| Name | Dimethylmalonic acid, nonyl 2-phenethyl 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/c1-4-5-6-7-8-9-13-17-25-20(23)22(2,3)21(24)26-18-16-19-14-11-10-12-15-19/h10-12,14-15H,4-9,13,16-18H2,1-3H3 |
| InChIKey | GPZWTOWMOWLMDO-UHFFFAOYSA-N |
| Molecular Weight | 362.510 g/mol |
| SMILES | C1=CC=CC(=C1)CCOC(=O)C(C)(C)C(OCCCCCCCCC)=O |