| SpectraBase Compound ID | CA5dfxPqVT3 |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-9-6-13(16)7-12-5-4-11(8-15(9,12)3)10(2)14(17)18/h7,9,11H,2,4-6,8H2,1,3H3,(H,17,18)/t9-,11+,15+/m0/s1 |
| InChIKey | GAWKUNMREBFQOL-ZVWUFJHRSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KcHJZ4lmvOT |
|---|---|
| Name | Tessaric acid |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-9-6-13(16)7-12-5-4-11(8-15(9,12)3)10(2)14(17)18/h7,9,11H,2,4-6,8H2,1,3H3,(H,17,18)/t9-,11+,15+/m0/s1 |
| InChIKey | GAWKUNMREBFQOL-ZVWUFJHRSA-N |
| Instrument Name | Finnigan-4510 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0205856 |
| Molecular Weight | 248.322 g/mol |
| Optical Rotation | [a]D20 = -156.2 (c = 0.3, CHCl3) |
| Reported Formula | C15H20O3 |
| SMILES | OC(C([C@@]1(CCC2=CC(C[C@@]([C@]2(C1)C)(C)[H])=O)[H])=C)=O |
| SPLASH | splash10-0a4i-7590000000-a4495b42e873f27357ab |
| Source of Spectrum | G4-66-1081-4 |
| Wiley ID | 1881473 |