| SpectraBase Compound ID | GT4mnKi1R9X |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-4-7-8-12-18-14(16)10-11-15(17)19-13(6-3)9-5-2/h10-11,13H,4,6-8,12H2,1-3H3/b11-10+ |
| InChIKey | HUBRCLOVSAMWCB-ZHACJKMWSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C15H22O4 |
| Exact Mass | 266.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | jVlo3patMr |
|---|---|
| Name | Fumaric acid, hex-4-yn-3-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.151809184 u |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-4-7-8-12-18-14(16)10-11-15(17)19-13(6-3)9-5-2/h10-11,13H,4,6-8,12H2,1-3H3/b11-10+ |
| InChIKey | HUBRCLOVSAMWCB-ZHACJKMWSA-N |
| Molecular Weight | 266.337 g/mol |
| SMILES | C(\C=C\C(OC(C#CC)CC)=O)(OCCCCC)=O |