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(S)-1-Phenyl-3-(1-phenylethyl)thiourea
SpectraBase Compound ID AnOWY8JdMOo
InChI InChI=1S/C15H16N2S/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2-12H,1H3,(H2,16,17,18)/t12-/m0/s1
InChIKey KPHXIOWPVPBEKR-LBPRGKRZSA-N
Mol Weight 256.37 g/mol
Molecular Formula C15H16N2S
Exact Mass 256.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ej82j388l1y
Name (S)-1-Phenyl-3-(1-phenylethyl)thiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2S
InChI InChI=1S/C15H16N2S/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2-12H,1H3,(H2,16,17,18)/t12-/m0/s1
InChIKey KPHXIOWPVPBEKR-LBPRGKRZSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.160
Molecular Weight 256.367 g/mol
Optical Rotation [a]20D = -90.0 (c = 1.08, CHCl3)
Reported Formula C15H16N2S
SMILES N(c1ccccc1)C(N[C@](c1ccccc1)(C)[H])=S
SPLASH splash10-0a6r-7900000000-9831bb4f7a146cb2d897
Source of Spectrum BJO-8-SM5-(S)-9b
Thin-Layer Chromatography Rf = 0.20 (n-Hex/EtOAc, 5:1)
Wiley ID 1864975