| SpectraBase Compound ID | 7pxMp7fUbZ2 |
|---|---|
| InChI | InChI=1S/C18H30O4/c1-2-3-4-7-10-15-21-17(19)13-14-18(20)22-16-11-8-5-6-9-12-16/h13-14,16H,2-12,15H2,1H3/b14-13+ |
| InChIKey | XCXHTFPRKZLLSB-BUHFOSPRSA-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 | 1YT5I2Tt3tB |
|---|---|
| Name | Fumaric acid, cycloheptyl heptyl 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/c1-2-3-4-7-10-15-21-17(19)13-14-18(20)22-16-11-8-5-6-9-12-16/h13-14,16H,2-12,15H2,1H3/b14-13+ |
| InChIKey | XCXHTFPRKZLLSB-BUHFOSPRSA-N |
| SMILES | C1C(CCCCC1)OC(\C=C\C(OCCCCCCC)=O)=O |