| SpectraBase Compound ID | GyHMonopTwW |
|---|---|
| InChI | InChI=1S/C17H28O5/c1-2-3-4-5-6-7-12-21-16(18)10-11-17(19)22-14-15-9-8-13-20-15/h10-11,15H,2-9,12-14H2,1H3/b11-10+ |
| InChIKey | PQVKDYGLPNBSRF-ZHACJKMWSA-N |
| Mol Weight | 312.41 g/mol |
| Molecular Formula | C17H28O5 |
| Exact Mass | 312.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aMfAqAxUsH |
|---|---|
| Name | Fumaric acid, octyl tetrahydrofurfuryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.193673997 u |
| Formula | C17H28O5 |
| InChI | InChI=1S/C17H28O5/c1-2-3-4-5-6-7-12-21-16(18)10-11-17(19)22-14-15-9-8-13-20-15/h10-11,15H,2-9,12-14H2,1H3/b11-10+ |
| InChIKey | PQVKDYGLPNBSRF-ZHACJKMWSA-N |
| Molecular Weight | 312.406 g/mol |
| SMILES | CCCCCCCCOC(\C=C\C(OCC1OCCC1)=O)=O |