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4-chloro-N-[1-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]heptyl]Benzenesulfonamide
SpectraBase Compound ID IeyVnWqBUyE
InChI InChI=1S/C22H27ClN4O2S/c1-2-3-4-8-11-20(25-30(28,29)21-14-12-19(23)13-15-21)16-27-17-22(24-26-27)18-9-6-5-7-10-18/h5-7,9-10,12-15,17,20,25H,2-4,8,11,16H2,1H3
InChIKey UFLFJSMAPZZHBR-UHFFFAOYSA-N
Mol Weight 447.0 g/mol
Molecular Formula C22H27ClN4O2S
Exact Mass 446.154325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yDzwOB89A
Name 4-chloro-N-[1-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]heptyl]Benzenesulfonamide
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27ClN4O2S
InChI InChI=1S/C22H27ClN4O2S/c1-2-3-4-8-11-20(25-30(28,29)21-14-12-19(23)13-15-21)16-27-17-22(24-26-27)18-9-6-5-7-10-18/h5-7,9-10,12-15,17,20,25H,2-4,8,11,16H2,1H3
InChIKey UFLFJSMAPZZHBR-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.808
Molecular Weight 446.997 g/mol
SMILES N(S(c1ccc(cc1)Cl)(=O)=O)C(CCCCCC)C[n]1nnc(c1)-c1ccccc1
SPLASH splash10-01ox-0890100000-9d5ebd3d293301546223
Source of Spectrum ARK-2005-98-4j
Wiley ID 1871067