| SpectraBase Compound ID | 1y5HGJA4LZc |
|---|---|
| InChI | InChI=1S/C19H26O6/c1-4-24-17(21)19(16(20)23-3,18(22)25-5-2)14-10-9-13-15-11-7-6-8-12-15/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3 |
| InChIKey | NBYYYGRYYWZQPZ-UHFFFAOYSA-N |
| Mol Weight | 350.41 g/mol |
| Molecular Formula | C19H26O6 |
| Exact Mass | 350.172939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28lsRuDIpDk |
|---|---|
| Name | Methyl 6-phenyl-2,2-bis(ethoxycarbonyl)-hexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.172938551 u |
| Formula | C19H26O6 |
| InChI | InChI=1S/C19H26O6/c1-4-24-17(21)19(16(20)23-3,18(22)25-5-2)14-10-9-13-15-11-7-6-8-12-15/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3 |
| InChIKey | NBYYYGRYYWZQPZ-UHFFFAOYSA-N |
| Molecular Weight | 350.411 g/mol |
| SMILES | C(C(CCCCC=1C=CC=CC1)(C(=O)OCC)C(=O)OCC)(=O)OC |