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2-Butanol, 1-(2-nitrophenoxy)-, 4-methylbenzenesulfonate (ester), (.+-.)-
SpectraBase Compound ID E6vjIZSDynD
InChI InChI=1S/C17H19NO6S/c1-3-14(12-23-17-7-5-4-6-16(17)18(19)20)24-25(21,22)15-10-8-13(2)9-11-15/h4-11,14H,3,12H2,1-2H3
InChIKey YSQDWIGZXMJIIU-UHFFFAOYSA-N
Mol Weight 365.4 g/mol
Molecular Formula C17H19NO6S
Exact Mass 365.093309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xWkeE4BhPp
Name 2-Butanol, 1-(2-nitrophenoxy)-, 4-methylbenzenesulfonate (ester), (.+-.)-
Alternate Name(s) 1-(o-nitrophenoxy)-2-(p-tolylsulphonyloxy)butane 1-[(2-nitrophenoxy)methyl]propyl 4-methylbenzenesulfonate
CAS Registry Number 113709-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO6S
InChI InChI=1S/C17H19NO6S/c1-3-14(12-23-17-7-5-4-6-16(17)18(19)20)24-25(21,22)15-10-8-13(2)9-11-15/h4-11,14H,3,12H2,1-2H3
InChIKey YSQDWIGZXMJIIU-UHFFFAOYSA-N
Molecular Weight 365.400 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(COc1c(N(=O)=O)cccc1)CC
SPLASH splash10-0a4l-5900000000-42e4750148d85fbdadea
Source of Spectrum KC-1987-2088-48
Wiley ID 1351311