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2-Butanol, 1-(2-aminophenoxy)-, 4-methylbenzenesulfonate (ester), (.+-.)-
SpectraBase Compound ID J04zddPflDT
InChI InChI=1S/C17H21NO4S/c1-3-14(12-21-17-7-5-4-6-16(17)18)22-23(19,20)15-10-8-13(2)9-11-15/h4-11,14H,3,12,18H2,1-2H3
InChIKey PKUPHXDAABOYRU-UHFFFAOYSA-N
Mol Weight 335.42 g/mol
Molecular Formula C17H21NO4S
Exact Mass 335.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FjAB39q4R4j
Name 2-Butanol, 1-(2-aminophenoxy)-, 4-methylbenzenesulfonate (ester), (.+-.)-
CAS Registry Number 113709-26-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4S
InChI InChI=1S/C17H21NO4S/c1-3-14(12-21-17-7-5-4-6-16(17)18)22-23(19,20)15-10-8-13(2)9-11-15/h4-11,14H,3,12,18H2,1-2H3
InChIKey PKUPHXDAABOYRU-UHFFFAOYSA-N
Molecular Weight 335.418 g/mol
SMILES Nc1c(OCC(OS(c2ccc(cc2)C)(=O)=O)CC)cccc1
SPLASH splash10-001i-1900000000-da8270bad6bba888fe64
Source of Spectrum KC-1987-2088-49
Synonyms 1-(o-aminophenoxy)-2-(p-tolylsulphonyloxy)butane 1-[(2-aminophenoxy)methyl]propyl 4-methylbenzenesulfonate
Wiley ID 1331618