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(S,E)-N-(2-hexylidene-1-phenylnon-3-ynyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 7PdC20E4wFD
InChI InChI=1S/C28H37NO2S/c1-4-6-8-10-13-17-25(16-12-9-7-5-2)28(26-18-14-11-15-19-26)29-32(30,31)27-22-20-24(3)21-23-27/h11,14-16,18-23,28-29H,4-10,12H2,1-3H3/b25-16+/t28-/m1/s1
InChIKey OOAZJQRFRDJTPC-RBXKPUFLSA-N
Mol Weight 451.7 g/mol
Molecular Formula C28H37NO2S
Exact Mass 451.254501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Xzsg0Ap0tG
Name (S,E)-N-(2-hexylidene-1-phenylnon-3-ynyl)-4-methylbenzenesulfonamide
Alternate Name(s) (S,E)-N-(2-hexylidene-1-phenylnon-3-yn-1-yl)-4-methylbenzenesulfonamide N-[(1S,2E)-2-hexylidene-1-phenylnon-3-ynyl]-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37NO2S
InChI InChI=1S/C28H37NO2S/c1-4-6-8-10-13-17-25(16-12-9-7-5-2)28(26-18-14-11-15-19-26)29-32(30,31)27-22-20-24(3)21-23-27/h11,14-16,18-23,28-29H,4-10,12H2,1-3H3/b25-16+/t28-/m1/s1
InChIKey OOAZJQRFRDJTPC-RBXKPUFLSA-N
Literature Reference DOI 10.1002/adsc.200900219
Molecular Weight 451.669 g/mol
SMILES N([C@@](c1ccccc1)(\C(C#CCCCCC)=C\CCCCC)[H])S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-01ox-9380000000-d5755be019c21eedab00
Source of Spectrum ASC-351-1512/SM8-7k
Wiley ID 1763263