| SpectraBase Compound ID | 5NR28katKzv |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-4-16(14(2)3)22-18(20)12-8-11-17(19)21-13-15-9-6-5-7-10-15/h5-6,14-16H,4,7-13H2,1-3H3 |
| InChIKey | VSPOLMTUPQAHHX-UHFFFAOYSA-N |
| Mol Weight | 310.43 g/mol |
| Molecular Formula | C18H30O4 |
| Exact Mass | 310.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FB7ppdk3vel |
|---|---|
| Name | Glutaric acid, (cyclohex-3-enyl)methyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.214409442 u |
| Formula | C18H30O4 |
| InChI | InChI=1S/C18H30O4/c1-4-16(14(2)3)22-18(20)12-8-11-17(19)21-13-15-9-6-5-7-10-15/h5-6,14-16H,4,7-13H2,1-3H3 |
| InChIKey | VSPOLMTUPQAHHX-UHFFFAOYSA-N |
| SMILES | C(CCC(OC(CC)C(C)C)=O)C(OCC1CC=CCC1)=O |