| SpectraBase Compound ID | 63o3r4nHSep |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-5-8-15-10(13)6-7-11(14)16-9-12(2,3)4/h6-7H,5,8-9H2,1-4H3/b7-6+ |
| InChIKey | JHQRAHAHOQZSIF-VOTSOKGWSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQeAsJxzFXZ |
|---|---|
| Name | Fumaric acid, neopentyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-5-8-15-10(13)6-7-11(14)16-9-12(2,3)4/h6-7H,5,8-9H2,1-4H3/b7-6+ |
| InChIKey | JHQRAHAHOQZSIF-VOTSOKGWSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | CCCOC(\C=C\C(OCC(C)(C)C)=O)=O |