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(Z)-8-(4-Nitrophenyl)-5-tosyl-5-azaoct-2-en-7-y-1-ol
SpectraBase Compound ID 9i0qPMU0Ykj
InChI InChI=1S/C20H20N2O5S/c1-17-6-12-20(13-7-17)28(26,27)21(14-2-3-16-23)15-4-5-18-8-10-19(11-9-18)22(24)25/h2-3,6-13,23H,14-16H2,1H3/b3-2-
InChIKey JXKWGERLHKCPBJ-IHWYPQMZSA-N
Mol Weight 400.45 g/mol
Molecular Formula C20H20N2O5S
Exact Mass 400.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxVhDqCsbUW
Name (Z)-8-(4-Nitrophenyl)-5-tosyl-5-azaoct-2-en-7-y-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20N2O5S
InChI InChI=1S/C20H20N2O5S/c1-17-6-12-20(13-7-17)28(26,27)21(14-2-3-16-23)15-4-5-18-8-10-19(11-9-18)22(24)25/h2-3,6-13,23H,14-16H2,1H3/b3-2-
InChIKey JXKWGERLHKCPBJ-IHWYPQMZSA-N
Literature Reference DOI 10.1021/jo101148e
Molecular Weight 400.449 g/mol
SMILES OC\C=C/CN(CC#Cc1ccc(cc1)[N+](=O)[O-])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-01ox-6920000000-e18de27788ded511a27f
Source of Spectrum J-75-6031/SM4-1g
Synonyms (Z)-N-(4-hydroxybut-2-en-1-yl)-4-methyl-N-(3-(4-nitrophenyl)prop-2-yn-1-yl)benzenesulfonamide 4-Methyl-N-[3-(4-nitrophenyl)prop-2-ynyl]-N-[(Z)-4-oxidanylbut-2-enyl]benzenesulfonamide
Wiley ID 1751748