| SpectraBase Compound ID | FnTDRAAkNnF |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-20-16(18)12-8-4-7-11-15(17(19)21-2)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3 |
| InChIKey | RAOSFXHGOOKKSI-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Cw2RCoDKXy |
|---|---|
| Name | Dimethyl 2-benzyloctanedioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-20-16(18)12-8-4-7-11-15(17(19)21-2)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3 |
| InChIKey | RAOSFXHGOOKKSI-UHFFFAOYSA-N |
| SMILES | C(C(CCCCCC(=O)OC)CC=1C=CC=CC1)(=O)OC |