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4-(2-Chloro-3-ethanesulfonyl-2-methyl-propionylamino)-benzoic acid methyl ester
SpectraBase Compound ID 57o2sIrdBch
InChI InChI=1S/C14H18ClNO5S/c1-4-22(19,20)9-14(2,15)13(18)16-11-7-5-10(6-8-11)12(17)21-3/h5-8H,4,9H2,1-3H3,(H,16,18)
InChIKey SSJUITSDMGZRIG-UHFFFAOYSA-N
Mol Weight 347.81 g/mol
Molecular Formula C14H18ClNO5S
Exact Mass 347.059422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HJIW3pp8nK
Name 4-(2-Chloro-3-ethanesulfonyl-2-methyl-propionylamino)-benzoic acid methyl ester
Alternate Name(s) 4-[(2-chloro-3-esyl-2-methyl-propanoyl)amino]benzoic acid methyl ester 4-[(2-chloro-3-ethylsulfonyl-2-methyl-1-oxopropyl)amino]benzoic acid methyl ester Methyl 4-[(2-chloranyl-3-ethylsulfonyl-2-methyl-propanoyl)amino]benzoate Methyl 4-[(2-chloro-3-ethylsulfonyl-2-methyl-propanoyl)amino]benzoate
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Formula C14H18ClNO5S
InChI InChI=1S/C14H18ClNO5S/c1-4-22(19,20)9-14(2,15)13(18)16-11-7-5-10(6-8-11)12(17)21-3/h5-8H,4,9H2,1-3H3,(H,16,18)
InChIKey SSJUITSDMGZRIG-UHFFFAOYSA-N
Molecular Weight 347.813 g/mol
SMILES N(C(C(CS(=O)(=O)CC)(Cl)C)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-00mo-9501000000-5944bcac98ca307bd906
Wiley ID 1457780