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Benzenemethanamine, N-methyl-.alpha.-[[(4-methylphenyl)sulfinyl]methyl]-, [R-(R*,S*)]-
SpectraBase Compound ID CXXnqEqZjjk
InChI InChI=1S/C16H19NOS/c1-13-8-10-15(11-9-13)19(18)12-16(17-2)14-6-4-3-5-7-14/h3-11,16-17H,12H2,1-2H3/t16-,19?/m1/s1
InChIKey VMPDJJDVJZZVQF-VTBWFHPJSA-N
Mol Weight 273.39 g/mol
Molecular Formula C16H19NOS
Exact Mass 273.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgR4gkbqdt5
Name Benzenemethanamine, N-methyl-.alpha.-[[(4-methylphenyl)sulfinyl]methyl]-, [R-(R*,S*)]-
CAS Registry Number 121411-16-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NOS
InChI InChI=1S/C16H19NOS/c1-13-8-10-15(11-9-13)19(18)12-16(17-2)14-6-4-3-5-7-14/h3-11,16-17H,12H2,1-2H3/t16-,19?/m1/s1
InChIKey VMPDJJDVJZZVQF-VTBWFHPJSA-N
Molecular Weight 273.394 g/mol
SMILES N([C@](C[S@](c1ccc(cc1)C)=O)(c1ccccc1)[H])C
SPLASH splash10-0b32-0920000000-5c431152a3ede304529a
Source of Spectrum J-55-1935-3
Synonyms (1S)-N-methyl-2-[(4-methylphenyl)sulfinyl]-1-phenylethanamine N-methyl-N-{(1S)-2-[(4-methylphenyl)sulfinyl]-1-phenylethyl}amine
Wiley ID 1277280