| SpectraBase Compound ID | Bmlj6086qck |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-7-19(17(4)5)25-21(23)13-9-12-20(22)24-15-14-18(6)11-8-10-16(2)3/h10,14,17,19H,7-9,11-13,15H2,1-6H3/b18-14- |
| InChIKey | MTJCBYRBOOKDQC-JXAWBTAJSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1uakUQkinWC |
|---|---|
| Name | Glutaric acid, 2-methylpent-3-yl neryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-7-19(17(4)5)25-21(23)13-9-12-20(22)24-15-14-18(6)11-8-10-16(2)3/h10,14,17,19H,7-9,11-13,15H2,1-6H3/b18-14- |
| InChIKey | MTJCBYRBOOKDQC-JXAWBTAJSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OC\C=C\(C)CCC=C(C)C)=O |