| SpectraBase Compound ID | LYNKESZIVh7 |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-16(13(2)3)22-18(20)11-7-10-17(19)21-15-9-6-8-14(4)12-15/h6,8-9,12-13,16H,5,7,10-11H2,1-4H3 |
| InChIKey | BLKPBZQJQVZIMZ-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FnFmyOflNYu |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-5-16(13(2)3)22-18(20)11-7-10-17(19)21-15-9-6-8-14(4)12-15/h6,8-9,12-13,16H,5,7,10-11H2,1-4H3 |
| InChIKey | BLKPBZQJQVZIMZ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC=1C=CC=C(C)C1)=O |