| SpectraBase Compound ID | H7H316eKy3y |
|---|---|
| InChI | InChI=1S/C20H38O4/c1-7-10-18(16(4)5)24-20(22)14-9-13-19(21)23-17(6)12-8-11-15(2)3/h15-18H,7-14H2,1-6H3 |
| InChIKey | YKXUNNKQTPBREP-UHFFFAOYSA-N |
| Mol Weight | 342.5 g/mol |
| Molecular Formula | C20H38O4 |
| Exact Mass | 342.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1icBRUYmpUV |
|---|---|
| Name | Glutaric acid, 6-methylhept-2-yl 2-methylhex-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.277009700 u |
| Formula | C20H38O4 |
| InChI | InChI=1S/C20H38O4/c1-7-10-18(16(4)5)24-20(22)14-9-13-19(21)23-17(6)12-8-11-15(2)3/h15-18H,7-14H2,1-6H3 |
| InChIKey | YKXUNNKQTPBREP-UHFFFAOYSA-N |
| Molecular Weight | 342.520 g/mol |
| SMILES | C(OC(CCCC(C)C)C)(=O)CCCC(OC(CCC)C(C)C)=O |