| SpectraBase Compound ID | OLhZshW6fw |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-6-7-8-13-20(5)26-22(24)15-10-14-21(23)25-17-16-19(4)12-9-11-18(2)3/h11,16,20H,6-10,12-15,17H2,1-5H3/b19-16- |
| InChIKey | YXCQIAIVUSVWLO-MNDPQUGUSA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1f1fSnvoiBZ |
|---|---|
| Name | Glutaric acid, hept-2-yl neryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-6-7-8-13-20(5)26-22(24)15-10-14-21(23)25-17-16-19(4)12-9-11-18(2)3/h11,16,20H,6-10,12-15,17H2,1-5H3/b19-16- |
| InChIKey | YXCQIAIVUSVWLO-MNDPQUGUSA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OC\C=C\(C)CCC=C(C)C)=O |