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(R)-Ethyl 2-amino-2-(6-chloro-1H-indol-3-yl)-3,3,3-trifluoropropanoate
SpectraBase Compound ID Jb4vTBxdtqw
InChI InChI=1S/C13H12ClF3N2O2/c1-2-21-11(20)12(18,13(15,16)17)9-6-19-10-5-7(14)3-4-8(9)10/h3-6,19H,2,18H2,1H3/t12-/m1/s1
InChIKey KLCXAXUIMJZXGK-GFCCVEGCSA-N
Mol Weight 320.7 g/mol
Molecular Formula C13H12ClF3N2O2
Exact Mass 320.05394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgmmgC1bLqp
Name (R)-Ethyl 2-amino-2-(6-chloro-1H-indol-3-yl)-3,3,3-trifluoropropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClF3N2O2
InChI InChI=1S/C13H12ClF3N2O2/c1-2-21-11(20)12(18,13(15,16)17)9-6-19-10-5-7(14)3-4-8(9)10/h3-6,19H,2,18H2,1H3/t12-/m1/s1
InChIKey KLCXAXUIMJZXGK-GFCCVEGCSA-N
Literature Reference DOI 10.1021/ol103093r
Molecular Weight 320.699 g/mol
SMILES [nH]1cc([C@@](C(=O)OCC)(C(F)(F)F)N)c2ccc(cc12)Cl
SPLASH splash10-0g4j-0958000000-1c88216922f4ef3987b4
Source of Spectrum A1-13-1044/SMS10-5
Wiley ID 1752835