| SpectraBase Compound ID | 2mlGwqN1KHb |
|---|---|
| InChI | InChI=1S/C22H36O4/c1-5-6-7-9-16(2)26-21(24)11-8-10-20(23)25-15-17-12-13-18-14-19(17)22(18,3)4/h12,16,18-19H,5-11,13-15H2,1-4H3 |
| InChIKey | XLHBWRKUCOTMRG-UHFFFAOYSA-N |
| Mol Weight | 364.5 g/mol |
| Molecular Formula | C22H36O4 |
| Exact Mass | 364.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FMNucfiK8l |
|---|---|
| Name | Glutaric acid, myrtenyl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.261359635 u |
| Formula | C22H36O4 |
| InChI | InChI=1S/C22H36O4/c1-5-6-7-9-16(2)26-21(24)11-8-10-20(23)25-15-17-12-13-18-14-19(17)22(18,3)4/h12,16,18-19H,5-11,13-15H2,1-4H3 |
| InChIKey | XLHBWRKUCOTMRG-UHFFFAOYSA-N |
| Molecular Weight | 364.526 g/mol |
| SMILES | C(CCC(OC(C)CCCCC)=O)C(OCC=1C2C(C(CC1)C2)(C)C)=O |