| SpectraBase Compound ID | 9OoZ4HKEoYb |
|---|---|
| InChI | InChI=1S/C18H32O5/c1-4-5-6-7-8-13-22-17(19)9-10-18(20)23-15-12-16(2)11-14-21-3/h9-10,16H,4-8,11-15H2,1-3H3/b10-9+ |
| InChIKey | NNPIGDSOOOZCMB-MDZDMXLPSA-N |
| Mol Weight | 328.4 g/mol |
| Molecular Formula | C18H32O5 |
| Exact Mass | 328.224974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWeyBENs13y |
|---|---|
| Name | Fumaric acid, heptyl 5-methoxy-3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.224974125 u |
| Formula | C18H32O5 |
| InChI | InChI=1S/C18H32O5/c1-4-5-6-7-8-13-22-17(19)9-10-18(20)23-15-12-16(2)11-14-21-3/h9-10,16H,4-8,11-15H2,1-3H3/b10-9+ |
| InChIKey | NNPIGDSOOOZCMB-MDZDMXLPSA-N |
| Molecular Weight | 328.449 g/mol |
| SMILES | CCCCCCCOC(\C=C\C(OCCC(CCOC)C)=O)=O |