| SpectraBase Compound ID | 3yBiOlmQPsR |
|---|---|
| InChI | InChI=1S/C14H22O4/c1-3-5-8-12-18-14(16)10-7-6-9-13(15)17-11-4-2/h2H,3,5-12H2,1H3 |
| InChIKey | WWSYZHRUCUFEEH-UHFFFAOYSA-N |
| Mol Weight | 254.33 g/mol |
| Molecular Formula | C14H22O4 |
| Exact Mass | 254.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8IgzGwt2cSw |
|---|---|
| Name | Adipic acid, pentyl propargyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.151809184 u |
| Formula | C14H22O4 |
| InChI | InChI=1S/C14H22O4/c1-3-5-8-12-18-14(16)10-7-6-9-13(15)17-11-4-2/h2H,3,5-12H2,1H3 |
| InChIKey | WWSYZHRUCUFEEH-UHFFFAOYSA-N |
| Molecular Weight | 254.326 g/mol |
| SMILES | C(C(=O)OCC#C)CCCC(OCCCCC)=O |