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(S)-N-Ethyl-2-((4-methoxyphenyl)(phenylthio)methyl)aniline
SpectraBase Compound ID Gl9skNMWqm9
InChI InChI=1S/C22H23NOS/c1-3-23-21-12-8-7-11-20(21)22(25-19-9-5-4-6-10-19)17-13-15-18(24-2)16-14-17/h4-16,22-23H,3H2,1-2H3/t22-/m0/s1
InChIKey VGLAFMXCXQTYQY-QFIPXVFZSA-N
Mol Weight 349.49 g/mol
Molecular Formula C22H23NOS
Exact Mass 349.150036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9SAW4lUzrCK
Name (S)-N-Ethyl-2-((4-methoxyphenyl)(phenylthio)methyl)aniline
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.150035538 u
Formula C22H23NOS
InChI InChI=1S/C22H23NOS/c1-3-23-21-12-8-7-11-20(21)22(25-19-9-5-4-6-10-19)17-13-15-18(24-2)16-14-17/h4-16,22-23H,3H2,1-2H3/t22-/m0/s1
InChIKey VGLAFMXCXQTYQY-QFIPXVFZSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511179
Molecular Weight 349.492 g/mol
Optical Rotation [a]D(RT) = +170.7 (c = 1.1, CHCl3)
Quality 54
SMILES N(C1=C(C=CC=C1)[C@](C1=CC=C(C=C1)OC)(SC1=CC=CC=C1)[H])CC
SPLASH splash10-0006-0190000000-e4014be8494e8bc032d4
Sample Comments 89% ee
Source of Spectrum ACI-55-SM27-6k (DOI: 10.1002/anie.201511179)
Wiley ID 1897308