SpectraBase Compound ID | JXLY72tXpns |
---|---|
InChI | InChI=1S/C11H10FNO2/c12-10-3-1-8(2-4-10)9(5-6-13)7-11(14)15/h1-4,9H,5,7H2,(H,14,15)/t9-/m0/s1 |
InChIKey | DPXLKCGEGMYPML-VIFPVBQESA-N |
Mol Weight | 207.2 g/mol |
Molecular Formula | C11H10FNO2 |
Exact Mass | 207.069557 g/mol |
SpectraBase Spectrum ID | DGxqWVnLod0 |
---|---|
Name | (3S)-4-Cyano-3-(4-fluorophenyl)butanoic acid |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C11H10FNO2 |
InChI | InChI=1S/C11H10FNO2/c12-10-3-1-8(2-4-10)9(5-6-13)7-11(14)15/h1-4,9H,5,7H2,(H,14,15)/t9-/m0/s1 |
InChIKey | DPXLKCGEGMYPML-VIFPVBQESA-N |
Molecular Weight | 207.204 g/mol |
SMILES | OC(C[C@@](c1ccc(cc1)F)(CC#N)[H])=O |
SPLASH | splash10-004i-0900000000-23123a53deb8dfd5eb5a |
Source of Spectrum | QC-12-3371-2 |
Wiley ID | 1634956 |