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N-Propyl-2-iodo-3-(4-tolyl-sulfonyl)-propionamide
SpectraBase Compound ID HKbq2i22qv6
InChI InChI=1S/C13H18INO3S/c1-3-8-15-13(16)12(14)9-19(17,18)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,15,16)
InChIKey LBPCPXKKTFBBCV-UHFFFAOYSA-N
Mol Weight 395.26 g/mol
Molecular Formula C13H18INO3S
Exact Mass 395.00521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5LVBru6I57
Name Propanamide, 2-iodo-3-[(4-methylphenyl)sulfonyl]-N-propyl-
Alternate Name(s) 2-iodo-3-[(4-methylphenyl)sulfonyl]-N-propylpropanamide N-propyl-2-iodo-3-(p-tolylsulphonyl)propionamide
CAS Registry Number 117659-24-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18INO3S
InChI InChI=1S/C13H18INO3S/c1-3-8-15-13(16)12(14)9-19(17,18)11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3,(H,15,16)
InChIKey LBPCPXKKTFBBCV-UHFFFAOYSA-N
Molecular Weight 395.255 g/mol
SMILES N(C(C(CS(c1ccc(cc1)C)(=O)=O)I)=O)CCC
SPLASH splash10-0a4u-9300000000-c74311111770d9b00795
Source of Spectrum KC-1988-1031-2
Wiley ID 1366952