| SpectraBase Compound ID | 1kAoRPNRM0b |
|---|---|
| InChI | InChI=1S/C18H32O4/c1-5-9-11-15(7-3)21-17(19)13-14-18(20)22-16(8-4)12-10-6-2/h13-16H,5-12H2,1-4H3/b14-13+ |
| InChIKey | GOPCFMSXGKGQHN-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 | AcdKmwIwNAc |
|---|---|
| Name | Fumaric acid, di(3-heptyl) 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/c1-5-9-11-15(7-3)21-17(19)13-14-18(20)22-16(8-4)12-10-6-2/h13-16H,5-12H2,1-4H3/b14-13+ |
| InChIKey | GOPCFMSXGKGQHN-BUHFOSPRSA-N |
| Molecular Weight | 312.450 g/mol |
| SMILES | C(OC(CC)CCCC)(\C=C\C(OC(CC)CCCC)=O)=O |