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N-[(2E)-3,7-Dimethylocta-2,6-diene-1-yl]-4-nitro-3-(trifluoromethyl)-benzenesulfonamide
SpectraBase Compound ID GmBvVuiU2Bc
InChI InChI=1S/C17H21F3N2O4S/c1-12(2)5-4-6-13(3)9-10-21-27(25,26)14-7-8-16(22(23)24)15(11-14)17(18,19)20/h5,7-9,11,21H,4,6,10H2,1-3H3/b13-9+
InChIKey NBWCUNOBPFBKJE-UKTHLTGXSA-N
Mol Weight 406.42 g/mol
Molecular Formula C17H21F3N2O4S
Exact Mass 406.117413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ET0RLkAv3e
Name N-[(2E)-3,7-Dimethylocta-2,6-diene-1-yl]-4-nitro-3-(trifluoromethyl)-benzenesulfonamide
Alternate Name(s) Geranyl-4-nitro-3-trifluoromethylbenzenesulfonamide
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21F3N2O4S
InChI InChI=1S/C17H21F3N2O4S/c1-12(2)5-4-6-13(3)9-10-21-27(25,26)14-7-8-16(22(23)24)15(11-14)17(18,19)20/h5,7-9,11,21H,4,6,10H2,1-3H3/b13-9+
InChIKey NBWCUNOBPFBKJE-UKTHLTGXSA-N
Ionization Type EI
Molecular Weight 406.420 g/mol
SMILES N(S(c1cc(c(cc1)[N+](=O)[O-])C(F)(F)F)(=O)=O)C\C=C\(CCC=C(C)C)C
SPLASH splash10-0mbj-3902200000-4f273dc6f6d06732c173
Source of Spectrum US7700654B2
Wiley ID 1842549