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(S)-N-Methyl-2-(phenyl(phenylthio)methyl)aniline
SpectraBase Compound ID Bd0a0vnXdtd
InChI InChI=1S/C20H19NS/c1-21-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)22-17-12-6-3-7-13-17/h2-15,20-21H,1H3/t20-/m0/s1
InChIKey RLIWWNDLHWVOIS-FQEVSTJZSA-N
Mol Weight 305.44 g/mol
Molecular Formula C20H19NS
Exact Mass 305.123821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jc9ChThgfO
Name (S)-N-Methyl-2-(phenyl(phenylthio)methyl)aniline
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.123820790 u
Formula C20H19NS
InChI InChI=1S/C20H19NS/c1-21-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)22-17-12-6-3-7-13-17/h2-15,20-21H,1H3/t20-/m0/s1
InChIKey RLIWWNDLHWVOIS-FQEVSTJZSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511179
Molecular Weight 305.439 g/mol
Optical Rotation [a]D(RT) = +54.1 (c = 0.9, CHCl3)
Quality 61
SMILES N(C1=C(C=CC=C1)[C@](C=1C=CC=CC1)(SC1=CC=CC=C1)[H])C
SPLASH splash10-01ot-0900000000-06e9f98e6073d2c0b277
Sample Comments 82% ee
Source of Spectrum ACI-55-SM25-6e (DOI: 10.1002/anie.201511179)
Wiley ID 1897304