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(S)-2-((3,4-Dimethoxyphenyl)(phenylthio)methyl)-N-methylaniline
SpectraBase Compound ID 11wh3O5TkVp
InChI InChI=1S/C22H23NO2S/c1-23-19-12-8-7-11-18(19)22(26-17-9-5-4-6-10-17)16-13-14-20(24-2)21(15-16)25-3/h4-15,22-23H,1-3H3/t22-/m0/s1
InChIKey CTIYKWQWAYJGSM-QFIPXVFZSA-N
Mol Weight 365.49 g/mol
Molecular Formula C22H23NO2S
Exact Mass 365.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQlaFtp0Uxn
Name (S)-2-((3,4-Dimethoxyphenyl)(phenylthio)methyl)-N-methylaniline
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.144950157 u
Formula C22H23NO2S
InChI InChI=1S/C22H23NO2S/c1-23-19-12-8-7-11-18(19)22(26-17-9-5-4-6-10-17)16-13-14-20(24-2)21(15-16)25-3/h4-15,22-23H,1-3H3/t22-/m0/s1
InChIKey CTIYKWQWAYJGSM-QFIPXVFZSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511179
Molecular Weight 365.491 g/mol
Optical Rotation [a]D(RT) = +50.0 (c = 1.5, CHCl3)
SMILES N(C1=C(C=CC=C1)[C@](C=1C=CC(=C(C1)OC)OC)(SC1=CC=CC=C1)[H])C
SPLASH splash10-03di-0940000000-5edf2b405395661ebbaa
Sample Comments 86% ee
Source of Spectrum ACI-55-SM26-6g (DOI: 10.1002/anie.201511179)
Wiley ID 1897305