| SpectraBase Compound ID | CBURWYR3SLs |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-21-17(19)11-6-7-12-18(20)22-14-13-16(4)10-8-9-15(2)3/h9,16H,5-8,10-14H2,1-4H3 |
| InChIKey | BSVJZZVSVGXMRF-UHFFFAOYSA-N |
| Mol Weight | 312.5 g/mol |
| Molecular Formula | C18H32O4 |
| Exact Mass | 312.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Qi5HQWTuyn |
|---|---|
| Name | Adipic acid, .beta.-citronellyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.230059506 u |
| Formula | C18H32O4 |
| InChI | InChI=1S/C18H32O4/c1-5-21-17(19)11-6-7-12-18(20)22-14-13-16(4)10-8-9-15(2)3/h9,16H,5-8,10-14H2,1-4H3 |
| InChIKey | BSVJZZVSVGXMRF-UHFFFAOYSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(CCCC(OCCC(C)CCC=C(C)C)=O)C(OCC)=O |