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N-Benzyl-N-{(E)-3-[(prop-2-ynyl)oxy]prop-1-enyl}-4-methylbenzenesulfonamide
SpectraBase Compound ID I4M0eskaD1i
InChI InChI=1S/C20H21NO3S/c1-3-15-24-16-7-14-21(17-19-8-5-4-6-9-19)25(22,23)20-12-10-18(2)11-13-20/h1,4-14H,15-17H2,2H3/b14-7+
InChIKey GNCTXAUAIWXMOT-VGOFMYFVSA-N
Mol Weight 355.45 g/mol
Molecular Formula C20H21NO3S
Exact Mass 355.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KAsw9xHstD
Name N-Benzyl-N-{(E)-3-[(prop-2-ynyl)oxy]prop-1-enyl}-4-methylbenzenesulfonamide
Alternate Name(s) (E)-N-benzyl-4-methyl-N-(3-(prop-2-yn-1-yloxy)prop-1-en-1-yl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO3S
InChI InChI=1S/C20H21NO3S/c1-3-15-24-16-7-14-21(17-19-8-5-4-6-9-19)25(22,23)20-12-10-18(2)11-13-20/h1,4-14H,15-17H2,2H3/b14-7+
InChIKey GNCTXAUAIWXMOT-VGOFMYFVSA-N
Literature Reference DOI 10.1021/ol0711725
Molecular Weight 355.452 g/mol
SMILES c1(S(N(\C=C\COCC#C)Cc2ccccc2)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9200000000-d7e9f384480fe88fd8ff
Source of Spectrum A1-9-3245/SMS23-24a
Wiley ID 1758372