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(S)-1-(1-(3-Chlorophenyl)ethyl)-3-phenylthiourea
SpectraBase Compound ID LAgVYb6hX13
InChI InChI=1S/C15H15ClN2S/c1-11(12-6-5-7-13(16)10-12)17-15(19)18-14-8-3-2-4-9-14/h2-11H,1H3,(H2,17,18,19)/t11-/m0/s1
InChIKey MJQCYLWMCNESKG-NSHDSACASA-N
Mol Weight 290.81 g/mol
Molecular Formula C15H15ClN2S
Exact Mass 290.064447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KxLCGecplOd
Name (S)-1-(1-(3-Chlorophenyl)ethyl)-3-phenylthiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15ClN2S
InChI InChI=1S/C15H15ClN2S/c1-11(12-6-5-7-13(16)10-12)17-15(19)18-14-8-3-2-4-9-14/h2-11H,1H3,(H2,17,18,19)/t11-/m0/s1
InChIKey MJQCYLWMCNESKG-NSHDSACASA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.160
Molecular Weight 290.812 g/mol
Optical Rotation [a]20D = 101 (c = 0.98, CHCl3)
Reported Formula C15H15ClN2S
SMILES N(c1ccccc1)C(N[C@](c1cccc(c1)Cl)(C)[H])=S
SPLASH splash10-0006-2590000000-b6ffa822a260fd4edbb2
Source of Spectrum BJO-8-SM7-(S)-9e
Thin-Layer Chromatography Rf = 0.22 (c-Hex/EtOAc, 5:1)
Wiley ID 1864977