| SpectraBase Compound ID | H5yxtYOtxAw |
|---|---|
| InChI | InChI=1S/C19H26O4/c1-5-6-9-14-22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19(2,3)4/h7-8,10-13H,5-6,9,14H2,1-4H3/b13-12+ |
| InChIKey | GSLCKYWKOWMRNN-OUKQBFOZSA-N |
| Mol Weight | 318.41 g/mol |
| Molecular Formula | C19H26O4 |
| Exact Mass | 318.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2TaqnXWRIU3 |
|---|---|
| Name | Fumaric acid, pentyl 2-tert-butylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.183109313 u |
| Formula | C19H26O4 |
| InChI | InChI=1S/C19H26O4/c1-5-6-9-14-22-17(20)12-13-18(21)23-16-11-8-7-10-15(16)19(2,3)4/h7-8,10-13H,5-6,9,14H2,1-4H3/b13-12+ |
| InChIKey | GSLCKYWKOWMRNN-OUKQBFOZSA-N |
| Molecular Weight | 318.413 g/mol |
| SMILES | C(\C=C\C(OCCCCC)=O)(OC1=CC=CC=C1C(C)(C)C)=O |