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(3S)-4-Cyano-3-(4-fluorophenyl)butanoic acid
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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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