| SpectraBase Compound ID | GXs36nkUnN1 |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-6-7-8-12-19(5)25-21(23)14-13-20(22)24-16-15-18(4)11-9-10-17(2)3/h10,15,19H,6-9,11-14,16H2,1-5H3/b18-15- |
| InChIKey | UGZADRPOGUMZED-SDXDJHTJSA-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 | 7AlOxfH7oNT |
|---|---|
| Name | Succinic acid, hept-2-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/c1-6-7-8-12-19(5)25-21(23)14-13-20(22)24-16-15-18(4)11-9-10-17(2)3/h10,15,19H,6-9,11-14,16H2,1-5H3/b18-15- |
| InChIKey | UGZADRPOGUMZED-SDXDJHTJSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC\C=C/(CCC=C(C)C)C)=O |