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Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-2-(4-methylphenoxy)-3-oxo-
SpectraBase Compound ID 8Q5xXZ9NxxC
InChI InChI=1S/C36H55ClN2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-45(42,43)39-29-22-25-31(37)32(27-29)38-35(41)33(34(40)36(3,4)5)44-30-23-20-28(2)21-24-30/h20-25,27,33,39H,6-19,26H2,1-5H3,(H,38,41)
InChIKey HQUBZZNWLNZKAF-UHFFFAOYSA-N
Mol Weight 663.4 g/mol
Molecular Formula C36H55ClN2O5S
Exact Mass 662.352022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3OZ7A1tAwn
Name Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-2-(4-methylphenoxy)-3-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H55ClN2O5S
InChI InChI=1S/C36H55ClN2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-45(42,43)39-29-22-25-31(37)32(27-29)38-35(41)33(34(40)36(3,4)5)44-30-23-20-28(2)21-24-30/h20-25,27,33,39H,6-19,26H2,1-5H3,(H,38,41)
InChIKey HQUBZZNWLNZKAF-UHFFFAOYSA-N
Molecular Weight 663.358 g/mol
SMILES N(S(CCCCCCCCCCCCCCCC)(=O)=O)c1ccc(c(c1)NC(=O)C(Oc1ccc(C)cc1)C(=O)C(C)(C)C)Cl
SPLASH splash10-053u-9810520000-c84af204ffd461ba3153
Source of Spectrum JX-2015-4-1405
Synonyms N-(2-chloro-5-(hexadecylsulfonamido)phenyl)-4,4-dimethyl-3-oxo-2-(p-tolyloxy)pentanamide N-{2-chloro-5-[(hexadecylsulfonyl)amino]phenyl}-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-2-(4-methylphenoxy)-3-oxopentanamide N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-2-(4-methylphenoxy)-3-oxo-pentanamide N-[2-chloranyl-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-2-(4-methylphenoxy)-3-oxidanylidene-pentanamide
Wiley ID 1726793