| SpectraBase Compound ID | 3RKQlYWpwbE |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-3-4-10-13(12-8-6-5-7-9-12)14(11(2)16)15(17)18/h5-9,11,13-14,16H,3-4,10H2,1-2H3,(H,17,18)/t11-,13?,14-/m0/s1 |
| InChIKey | XZAPZQQCWNOOJJ-UFPXDFCQSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3AMhsE5I6N9 |
|---|---|
| Name | (1'R,2R,3S)-2-(1'-HYDROXYETHYL)-3-PHENYLHEPTANOIC-ACID |
| CAS Registry Number | 129287-80-5 |
| Compound Number | 44 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-3-4-10-13(12-8-6-5-7-9-12)14(11(2)16)15(17)18/h5-9,11,13-14,16H,3-4,10H2,1-2H3,(H,17,18)/t11-,13?,14-/m0/s1 |
| InChIKey | XZAPZQQCWNOOJJ-UFPXDFCQSA-N |
| Literature Reference Author | W.AMBERG,D.SEEBACH |
| Literature Reference Citation | CHEM.BER.,123,2413(1990) |
| Literature Reference DOI | 10.1002/cber.19901231225 |
| Molecular Weight | 250.338 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED12682 |