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Benzenepropanamide, .alpha.-chloro-3-[(hexadecylsulfonyl)amino]-N-(2-methoxyphenyl)-.beta.-oxo-
SpectraBase Compound ID DqJO9IpD9QA
InChI InChI=1S/C32H47ClN2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-41(38,39)35-27-21-19-20-26(25-27)31(36)30(33)32(37)34-28-22-16-17-23-29(28)40-2/h16-17,19-23,25,30,35H,3-15,18,24H2,1-2H3,(H,34,37)
InChIKey DPVZYJOLJXEBNJ-UHFFFAOYSA-N
Mol Weight 607.3 g/mol
Molecular Formula C32H47ClN2O5S
Exact Mass 606.289421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eqz80aLQurr
Name Benzenepropanamide, .alpha.-chloro-3-[(hexadecylsulfonyl)amino]-N-(2-methoxyphenyl)-.beta.-oxo-
Alternate Name(s) 2-Chloro-3-(3-(hexadecylsulfonamido)phenyl)-N-(2-methoxyphenyl)-3-oxopropanamide 2-Chloro-3-{3-[(hexadecylsulfonyl)amino]phenyl}-N-(2-methoxyphenyl)-3-oxopropanamide 2-Chloro-3-[3-(hexadecylsulfonylamino)phenyl]-N-(2-methoxyphenyl)-3-oxopropanamide 2-Chloro-3-[3-(hexadecylsulfonylamino)phenyl]-N-(2-methoxyphenyl)-3-oxo-propanamide 2-Chloranyl-3-[3-(hexadecylsulfonylamino)phenyl]-N-(2-methoxyphenyl)-3-oxidanylidene-propanamide
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Formula C32H47ClN2O5S
InChI InChI=1S/C32H47ClN2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-41(38,39)35-27-21-19-20-26(25-27)31(36)30(33)32(37)34-28-22-16-17-23-29(28)40-2/h16-17,19-23,25,30,35H,3-15,18,24H2,1-2H3,(H,34,37)
InChIKey DPVZYJOLJXEBNJ-UHFFFAOYSA-N
Molecular Weight 607.250 g/mol
SMILES N(S(=O)(=O)CCCCCCCCCCCCCCCC)c1cccc(C(C(C(=O)Nc2c(cccc2)OC)Cl)=O)c1
SPLASH splash10-0abc-9700000000-d260e28d116898112019
Source of Spectrum JX-2015-4-1313
Wiley ID 1726702