| SpectraBase Compound ID | DoyL8pFCXHD |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-4-6-7-10-16(3)23-19(21)13-9-14-20(22)24-18-12-8-11-17(5-2)15-18/h8,11-12,15-16H,4-7,9-10,13-14H2,1-3H3 |
| InChIKey | IAEJKEIZZRKOHZ-UHFFFAOYSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNWFzNyQwcP |
|---|---|
| Name | Glutaric acid, hept-2-yl 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.214409442 u |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-4-6-7-10-16(3)23-19(21)13-9-14-20(22)24-18-12-8-11-17(5-2)15-18/h8,11-12,15-16H,4-7,9-10,13-14H2,1-3H3 |
| InChIKey | IAEJKEIZZRKOHZ-UHFFFAOYSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC1=CC=CC(CC)=C1)=O |