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4-Methyl-N-(8-phenylocta-2,7-diynyl)benzenesulfonamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Methyl-N-(8-phenylocta-2,7-diynyl)benzenesulfonamide
SpectraBase Compound ID EgghbJYf3G0
InChI InChI=1S/C21H21NO2S/c1-19-14-16-21(17-15-19)25(23,24)22-18-10-5-3-2-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-17,22H,2-4,18H2,1H3
InChIKey HYYJVBAYWQYXKA-UHFFFAOYSA-N
Mol Weight 351.46 g/mol
Molecular Formula C21H21NO2S
Exact Mass 351.1293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AejDW1fzL42
Name 4-Methyl-N-(8-phenylocta-2,7-diynyl)benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.129300092 u
Formula C21H21NO2S
InChI InChI=1S/C21H21NO2S/c1-19-14-16-21(17-15-19)25(23,24)22-18-10-5-3-2-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-17,22H,2-4,18H2,1H3
InChIKey HYYJVBAYWQYXKA-UHFFFAOYSA-N
Molecular Weight 351.464 g/mol
SMILES C=1(S(=O)(=O)NCC#CCCCC#CC=2C=CC=CC2)C=CC(=CC1)C