| SpectraBase Compound ID | EEwSEIVft1N |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-13(2)6-5-11-20-16(18)9-10-17(19)21-15-8-4-7-14(3)12-15/h4,7-10,12-13H,5-6,11H2,1-3H3/b10-9+ |
| InChIKey | LVOJLSSGMAKPEL-MDZDMXLPSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BoJ22G7IV6C |
|---|---|
| Name | Fumaric acid, isohexyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-13(2)6-5-11-20-16(18)9-10-17(19)21-15-8-4-7-14(3)12-15/h4,7-10,12-13H,5-6,11H2,1-3H3/b10-9+ |
| InChIKey | LVOJLSSGMAKPEL-MDZDMXLPSA-N |
| SMILES | C1=C(C=CC=C1C)OC(\C=C\C(OCCCC(C)C)=O)=O |