| SpectraBase Compound ID | 5fWcUOZTlwN |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-4-7-8-9-10-11-12-15-21-17(19)13-14-18(20)22-16(5-2)6-3/h13-14,16H,4-12,15H2,1-3H3/b14-13+ |
| InChIKey | NSJGNBRGVMMLHE-BUHFOSPRSA-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 | Bm8yn3uLtoZ |
|---|---|
| Name | Fumaric acid, nonyl 3-pentyl 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/c1-4-7-8-9-10-11-12-15-21-17(19)13-14-18(20)22-16(5-2)6-3/h13-14,16H,4-12,15H2,1-3H3/b14-13+ |
| InChIKey | NSJGNBRGVMMLHE-BUHFOSPRSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCC)=O)(OC(CC)CC)=O |