| SpectraBase Compound ID | LMxFZENdmgs |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-5-6-7-8-9-10-13-20-15(18)11-12-16(19)21-14-17(2,3)4/h11-12H,5-10,13-14H2,1-4H3/b12-11+ |
| InChIKey | KKDORGPHEKXNQE-VAWYXSNFSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HLT5mmbAFHC |
|---|---|
| Name | Fumaric acid, neopentyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-5-6-7-8-9-10-13-20-15(18)11-12-16(19)21-14-17(2,3)4/h11-12H,5-10,13-14H2,1-4H3/b12-11+ |
| InChIKey | KKDORGPHEKXNQE-VAWYXSNFSA-N |
| SMILES | C(OC(\C=C\C(OCC(C)(C)C)=O)=O)CCCCCCC |