| SpectraBase Compound ID | IsncSa4L3qd |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-5-10(4)16-12(14)7-6-11(13)15-8-9(2)3/h6-7,9-10H,5,8H2,1-4H3/b7-6+ |
| InChIKey | VJAWVHUSZGPWDP-VOTSOKGWSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 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 | 2w3nbRuiKNt |
|---|---|
| Name | Fumaric acid, 2-butyl isobutyl 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/c1-5-10(4)16-12(14)7-6-11(13)15-8-9(2)3/h6-7,9-10H,5,8H2,1-4H3/b7-6+ |
| InChIKey | VJAWVHUSZGPWDP-VOTSOKGWSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(\C=C\C(OCC(C)C)=O)(OC(CC)C)=O |