| SpectraBase Compound ID | DjZj4JReTEO |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-15-9-7-10-16(13-15)22-18(20)11-8-12-19(21)23-17(6-2)14(3)4/h7,9-10,13-14,17H,5-6,8,11-12H2,1-4H3 |
| InChIKey | XLFCZEISEPUVHC-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KbfRMiyOKiG |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-5-15-9-7-10-16(13-15)22-18(20)11-8-12-19(21)23-17(6-2)14(3)4/h7,9-10,13-14,17H,5-6,8,11-12H2,1-4H3 |
| InChIKey | XLFCZEISEPUVHC-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC1=CC=CC(CC)=C1)=O |