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(2S,3S,RS)-(tert-Butyl)-2-cyano-4-phenyl-1-(p-tolylsulfinyl)butan-3-ylcarbamate
SpectraBase Compound ID Ghk98Pim1ns
InChI InChI=1S/C23H28N2O3S/c1-17-10-12-20(13-11-17)29(27)16-19(15-24)21(14-18-8-6-5-7-9-18)25-22(26)28-23(2,3)4/h5-13,19,21H,14,16H2,1-4H3,(H,25,26)/t19-,21?,29?/m0/s1
InChIKey NTNGJVGMJOWPJS-NITCWWJBSA-N
Mol Weight 412.55 g/mol
Molecular Formula C23H28N2O3S
Exact Mass 412.182064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KME77UAqBJS
Name (2S,3S,RS)-(tert-Butyl)-2-cyano-4-phenyl-1-(p-tolylsulfinyl)butan-3-ylcarbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28N2O3S
InChI InChI=1S/C23H28N2O3S/c1-17-10-12-20(13-11-17)29(27)16-19(15-24)21(14-18-8-6-5-7-9-18)25-22(26)28-23(2,3)4/h5-13,19,21H,14,16H2,1-4H3,(H,25,26)/t19-,21?,29?/m0/s1
InChIKey NTNGJVGMJOWPJS-NITCWWJBSA-N
Molecular Weight 412.548 g/mol
SMILES N(C(OC(C)(C)C)=O)C([C@](C[S@@](c1ccc(C)cc1)=O)(C#N)[H])Cc1ccccc1
SPLASH splash10-05mo-9120000000-8e710d4c3d2a5445eaad
Source of Spectrum F-65-362-8b
Wiley ID 1682109