| SpectraBase Compound ID | HBtqcd2tir7 |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-4-7-14-10(12)5-6-11(13)15-8-9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5+ |
| InChIKey | WBTQQXAHEBAMDA-AATRIKPKSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JCSO6oBHIeC |
|---|---|
| Name | Fumaric acid, isobutyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-4-7-14-10(12)5-6-11(13)15-8-9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5+ |
| InChIKey | WBTQQXAHEBAMDA-AATRIKPKSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(\C=C\C(OCC(C)C)=O)(OCCC)=O |