| SpectraBase Compound ID | 6e6D8dmymri |
|---|---|
| InChI | InChI=1S/C9H12O4/c1-3-4-7(2)13-9(12)6-5-8(10)11/h1,7H,4-6H2,2H3,(H,10,11) |
| InChIKey | PBWNKFGGHKAIFM-UHFFFAOYSA-N |
| Mol Weight | 184.19 g/mol |
| Molecular Formula | C9H12O4 |
| Exact Mass | 184.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2STyyBJfpdI |
|---|---|
| Name | (+/-)-PENT-4'-YN-2'-YL-HYDROGEN-SICCINATE |
| Compound Number | 11 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C9H12O4/c1-3-4-7(2)13-9(12)6-5-8(10)11/h1,7H,4-6H2,2H3,(H,10,11) |
| InChIKey | PBWNKFGGHKAIFM-UHFFFAOYSA-N |
| Literature Reference | A.S.COTTERILL,M.GILL,N.M.MILANOVIC J.CHEM.SOC.PERKIN-1,1215(1995) |
| Solvent | Chloroform-d |