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4-[Butyl(methylsulfonyl)amino]benzoic acid
SpectraBase Compound ID itaZwU2anf
InChI InChI=1S/C12H17NO4S/c1-3-4-9-13(18(2,16)17)11-7-5-10(6-8-11)12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChIKey UYRWLFGADVRIGU-UHFFFAOYSA-N
Mol Weight 271.33 g/mol
Molecular Formula C12H17NO4S
Exact Mass 271.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xAMWlIVxIs
Name 4-[Butyl(methylsulfonyl)amino]benzoic acid
Alternate Name(s) 4-[butyl(mesyl)amino]benzoic acid Benzoic acid, 4-butyl(methylsulfonyl)amino-
CAS Registry Number 345992-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4S
InChI InChI=1S/C12H17NO4S/c1-3-4-9-13(18(2,16)17)11-7-5-10(6-8-11)12(14)15/h5-8H,3-4,9H2,1-2H3,(H,14,15)
InChIKey UYRWLFGADVRIGU-UHFFFAOYSA-N
Molecular Weight 271.331 g/mol
SMILES OC(c1ccc(N(S(=O)(=O)C)CCCC)cc1)=O
SPLASH splash10-0udi-5900000000-9a2b3d968bdf60f6ea41
Source of Spectrum AD-0-2532-0
Wiley ID 1434755