| SpectraBase Compound ID | H3i9pIOuiLC |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-11(15(17)19-3)10-14(12(2)16(18)20-4)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3 |
| InChIKey | MYUCPNTWCCZLDR-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8UlD4VWDuux |
|---|---|
| Name | Dimethyl 2,5-dimethyl-3-phenylhexandioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-11(15(17)19-3)10-14(12(2)16(18)20-4)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3 |
| InChIKey | MYUCPNTWCCZLDR-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C(C(C(CC(C(=O)OC)C)C=1C=CC=CC1)C)(=O)OC |