| SpectraBase Compound ID | 6VPtbdQLlG0 |
|---|---|
| InChI | InChI=1S/C19H26O5/c1-5-17(13(2)3)24-19(22)8-6-7-18(21)23-16-11-9-15(10-12-16)14(4)20/h9-13,17H,5-8H2,1-4H3 |
| InChIKey | VYYIEDVGVBXKND-UHFFFAOYSA-N |
| Mol Weight | 334.41 g/mol |
| Molecular Formula | C19H26O5 |
| Exact Mass | 334.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 72P5v1BJ34y |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 4-acetylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.178023932 u |
| Formula | C19H26O5 |
| InChI | InChI=1S/C19H26O5/c1-5-17(13(2)3)24-19(22)8-6-7-18(21)23-16-11-9-15(10-12-16)14(4)20/h9-13,17H,5-8H2,1-4H3 |
| InChIKey | VYYIEDVGVBXKND-UHFFFAOYSA-N |
| Molecular Weight | 334.412 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC1=CC=C(C(C)=O)C=C1)=O |