| SpectraBase Compound ID | A80OwAvO0PQ |
|---|---|
| InChI | InChI=1S/C15H18O4/c1-2-3-7-12-18-14(16)10-11-15(17)19-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3/b11-10+ |
| InChIKey | LZWPEHRLHFGSAD-ZHACJKMWSA-N |
| Mol Weight | 262.3 g/mol |
| Molecular Formula | C15H18O4 |
| Exact Mass | 262.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6OF6P1RFfMi |
|---|---|
| Name | Fumaric acid, pentyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.120509056 u |
| Formula | C15H18O4 |
| InChI | InChI=1S/C15H18O4/c1-2-3-7-12-18-14(16)10-11-15(17)19-13-8-5-4-6-9-13/h4-6,8-11H,2-3,7,12H2,1H3/b11-10+ |
| InChIKey | LZWPEHRLHFGSAD-ZHACJKMWSA-N |
| Molecular Weight | 262.305 g/mol |
| SMILES | CCCCCOC(\C=C\C(OC=1C=CC=CC1)=O)=O |