| SpectraBase Compound ID | KATubzit8yT |
|---|---|
| InChI | InChI=1S/C19H32O4/c1-3-5-7-9-10-11-13-17-23-19(21)15-14-18(20)22-16-12-8-6-4-2/h10-11,14-15H,3-9,12-13,16-17H2,1-2H3/b11-10-,15-14+ |
| InChIKey | BAQJAYQDZOWVIE-HHAKQIEWSA-N |
| Mol Weight | 324.5 g/mol |
| Molecular Formula | C19H32O4 |
| Exact Mass | 324.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 95XskfWZlkL |
|---|---|
| Name | Fumaric acid, cis-non-3-enyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.230059506 u |
| Formula | C19H32O4 |
| InChI | InChI=1S/C19H32O4/c1-3-5-7-9-10-11-13-17-23-19(21)15-14-18(20)22-16-12-8-6-4-2/h10-11,14-15H,3-9,12-13,16-17H2,1-2H3/b11-10-,15-14+ |
| InChIKey | BAQJAYQDZOWVIE-HHAKQIEWSA-N |
| Molecular Weight | 324.461 g/mol |
| SMILES | C(\C=C\C(OCCCCCC)=O)(OCC\C=C/CCCCC)=O |