| SpectraBase Compound ID | DN6y7xmK2IS |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-3-4-5-6-7-8-11-16-24-20(22)14-15-21(23)25-17-19-13-10-9-12-18(19)2/h9-10,12-13H,3-8,11,14-17H2,1-2H3 |
| InChIKey | VYZMEEDCHDJRBQ-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2laIDKSLXN1 |
|---|---|
| Name | Succinic acid, 2-methylbenzyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-3-4-5-6-7-8-11-16-24-20(22)14-15-21(23)25-17-19-13-10-9-12-18(19)2/h9-10,12-13H,3-8,11,14-17H2,1-2H3 |
| InChIKey | VYZMEEDCHDJRBQ-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C(CCC(OCC=1C(C)=CC=CC1)=O)(OCCCCCCCCC)=O |