| SpectraBase Compound ID | 3LFbTbcHubt |
|---|---|
| InChI | InChI=1S/C11H14O4/c1-4-8-14-10(12)6-7-11(13)15-9(3)5-2/h2,6-7,9H,4,8H2,1,3H3/b7-6+ |
| InChIKey | GOUHKBYLNQHWIS-VOTSOKGWSA-N |
| Mol Weight | 210.23 g/mol |
| Molecular Formula | C11H14O4 |
| Exact Mass | 210.089209 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 | 4O0jDvJfAuv |
|---|---|
| Name | Fumaric acid, but-3-yn-2-yl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.089208927 u |
| Formula | C11H14O4 |
| InChI | InChI=1S/C11H14O4/c1-4-8-14-10(12)6-7-11(13)15-9(3)5-2/h2,6-7,9H,4,8H2,1,3H3/b7-6+ |
| InChIKey | GOUHKBYLNQHWIS-VOTSOKGWSA-N |
| Molecular Weight | 210.229 g/mol |
| SMILES | CCCOC(\C=C\C(OC(C#C)C)=O)=O |