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4-Methyl-N-[(2S)-1-(2-methyl-1,3-dithian-2-yl)-3-phenyl-propan-2-yl]benzenesulfonamide
SpectraBase Compound ID 7aoypbDnfYz
InChI InChI=1S/C21H27NO2S3/c1-17-9-11-20(12-10-17)27(23,24)22-19(15-18-7-4-3-5-8-18)16-21(2)25-13-6-14-26-21/h3-5,7-12,19,22H,6,13-16H2,1-2H3/t19-/m0/s1
InChIKey XEZBOKBDJLOQAW-IBGZPJMESA-N
Mol Weight 421.63 g/mol
Molecular Formula C21H27NO2S3
Exact Mass 421.120393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CigshMsVcBT
Name 4-Methyl-N-[(2S)-1-(2-methyl-1,3-dithian-2-yl)-3-phenyl-propan-2-yl]benzenesulfonamide
Alternate Name(s) N-[(1S)-1-benzyl-2-(2-methyl-1,3-dithian-2-yl)ethyl]-4-methyl-benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO2S3
InChI InChI=1S/C21H27NO2S3/c1-17-9-11-20(12-10-17)27(23,24)22-19(15-18-7-4-3-5-8-18)16-21(2)25-13-6-14-26-21/h3-5,7-12,19,22H,6,13-16H2,1-2H3/t19-/m0/s1
InChIKey XEZBOKBDJLOQAW-IBGZPJMESA-N
Molecular Weight 421.632 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)[C@](CC1(SCCCS1)C)(Cc1ccccc1)[H]
SPLASH splash10-001l-5910000000-bca384fd717d25ad2e0f
Source of Spectrum KC-0-2441-10
Wiley ID 784292