| SpectraBase Compound ID | CgR0phvxbnN |
|---|---|
| InChI | InChI=1S/C12H18O5/c1-2-7-16-11(13)5-6-12(14)17-9-10-4-3-8-15-10/h5-6,10H,2-4,7-9H2,1H3/b6-5+ |
| InChIKey | YTCWRTXHFIAOGV-AATRIKPKSA-N |
| Mol Weight | 242.27 g/mol |
| Molecular Formula | C12H18O5 |
| Exact Mass | 242.115424 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8pxSENm0nFD |
|---|---|
| Name | Fumaric acid, propyl tetrahydrofurfuryl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.115423675 u |
| Formula | C12H18O5 |
| InChI | InChI=1S/C12H18O5/c1-2-7-16-11(13)5-6-12(14)17-9-10-4-3-8-15-10/h5-6,10H,2-4,7-9H2,1H3/b6-5+ |
| InChIKey | YTCWRTXHFIAOGV-AATRIKPKSA-N |
| Molecular Weight | 242.271 g/mol |
| SMILES | CCCOC(\C=C\C(OCC1CCCO1)=O)=O |