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Bis[4-(valerylamino)phenyl] sulphone
SpectraBase Compound ID 31JhwaRwGAv
InChI InChI=1S/C22H28N2O4S/c1-3-5-7-21(25)23-17-9-13-19(14-10-17)29(27,28)20-15-11-18(12-16-20)24-22(26)8-6-4-2/h9-16H,3-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKey UZQRSHCTSKVBAV-UHFFFAOYSA-N
Mol Weight 416.54 g/mol
Molecular Formula C22H28N2O4S
Exact Mass 416.176979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgNVHXxfN08
Name Bis[4-(valerylamino)phenyl] sulphone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O4S
InChI InChI=1S/C22H28N2O4S/c1-3-5-7-21(25)23-17-9-13-19(14-10-17)29(27,28)20-15-11-18(12-16-20)24-22(26)8-6-4-2/h9-16H,3-8H2,1-2H3,(H,23,25)(H,24,26)
InChIKey UZQRSHCTSKVBAV-UHFFFAOYSA-N
Molecular Weight 416.536 g/mol
SMILES N(C(=O)CCCC)c1ccc(S(c2ccc(NC(=O)CCCC)cc2)(=O)=O)cc1
SPLASH splash10-0a5d-9253200000-c59d0fadb8422a6b270a
Source of Spectrum IC-1136-0-0
Synonyms N-(4-{[4-(pentanoylamino)phenyl]sulfonyl}phenyl)pentanamide N-[4-[4-(1-oxopentylamino)phenyl]sulfonylphenyl]pentanamide N-[4-[4-(valerylamino)phenyl]sulfonylphenyl]valeramide
Wiley ID 1376320