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(R)-2-((4-chlorophenyl)amino)-3,3-difluoro-2-(m-tolyl)propanenitrile
SpectraBase Compound ID JmZXmCzRDaV
InChI InChI=1S/C16H13ClF2N2/c1-11-3-2-4-12(9-11)16(10-20,15(18)19)21-14-7-5-13(17)6-8-14/h2-9,15,21H,1H3/t16-/m0/s1
InChIKey IKINUSBZRSYUIL-INIZCTEOSA-N
Mol Weight 306.74 g/mol
Molecular Formula C16H13ClF2N2
Exact Mass 306.073532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdROgjRhONP
Name (R)-2-((4-chlorophenyl)amino)-3,3-difluoro-2-(m-tolyl)propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClF2N2
InChI InChI=1S/C16H13ClF2N2/c1-11-3-2-4-12(9-11)16(10-20,15(18)19)21-14-7-5-13(17)6-8-14/h2-9,15,21H,1H3/t16-/m0/s1
InChIKey IKINUSBZRSYUIL-INIZCTEOSA-N
Literature Reference DOI 10.1021/ol201316z
Molecular Weight 306.744 g/mol
SMILES N(c1ccc(cc1)Cl)[C@@](C(F)F)(C#N)c1cccc(C)c1
SPLASH splash10-0r2d-9220000000-482293dfa6314bc01d72
Source of Spectrum A1-13-3826/SM21-5k
Wiley ID 1753471