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(S)-N-Isopropyl-2-((4-methoxyphenyl)(phenylthio)methyl)aniline
SpectraBase Compound ID 3je2CALcObu
InChI InChI=1S/C23H25NOS/c1-17(2)24-22-12-8-7-11-21(22)23(26-20-9-5-4-6-10-20)18-13-15-19(25-3)16-14-18/h4-17,23-24H,1-3H3/t23-/m0/s1
InChIKey JQHJJABSGPTIEY-QHCPKHFHSA-N
Mol Weight 363.52 g/mol
Molecular Formula C23H25NOS
Exact Mass 363.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZiyP16pLcZ
Name (S)-N-Isopropyl-2-((4-methoxyphenyl)(phenylthio)methyl)aniline
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NOS
InChI InChI=1S/C23H25NOS/c1-17(2)24-22-12-8-7-11-21(22)23(26-20-9-5-4-6-10-20)18-13-15-19(25-3)16-14-18/h4-17,23-24H,1-3H3/t23-/m0/s1
InChIKey JQHJJABSGPTIEY-QHCPKHFHSA-N
Instrument Name Shimadzu GC-MS QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511179
Molecular Weight 363.519 g/mol
Optical Rotation [a]D(RT) = +86.7 (c = 1.6, CHCl3)
Quality 45
SMILES N(C1=C(C=CC=C1)[C@](C1=CC=C(C=C1)OC)(SC1=CC=CC=C1)[H])C(C)C
SPLASH splash10-0a4i-0920000000-87a709b2f6d716be408a
Sample Comments 89% ee
Source of Spectrum ACI-55-SM28-6l (DOI: 10.1002/anie.201511179)
Wiley ID 1897309