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1-Hexadecanesulfonamide, N-[4-[3-(6-methyl-1H-pyrazolo[5,1-c]-1,2,4-triazol-3-yl)propyl]phenyl]-
SpectraBase Compound ID 17NbOzuOpga
InChI InChI=1S/C30H49N5O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-38(36,37)34-28-22-20-27(21-23-28)18-17-19-29-31-32-30-25-26(2)33-35(29)30/h20-23,25,32,34H,3-19,24H2,1-2H3
InChIKey KDUABPQHDRSHAC-UHFFFAOYSA-N
Mol Weight 543.8 g/mol
Molecular Formula C30H49N5O2S
Exact Mass 543.360697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQCOs93ZtdS
Name 1-Hexadecanesulfonamide, N-[4-[3-(6-methyl-1H-pyrazolo[5,1-c]-1,2,4-triazol-3-yl)propyl]phenyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H49N5O2S
InChI InChI=1S/C30H49N5O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-38(36,37)34-28-22-20-27(21-23-28)18-17-19-29-31-32-30-25-26(2)33-35(29)30/h20-23,25,32,34H,3-19,24H2,1-2H3
InChIKey KDUABPQHDRSHAC-UHFFFAOYSA-N
Molecular Weight 543.815 g/mol
SMILES N(S(CCCCCCCCCCCCCCCC)(=O)=O)c1ccc(CCCC2=NNc3cc(n[n]23)C)cc1
SPLASH splash10-0k9l-9730010000-763f0a827cbcd77f4670
Source of Spectrum JX-2015-4-1140
Synonyms N-(4-(3-(6-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl)phenyl)hexadecane-1-sulfonamide N-{4-[3-(6-methyl-1H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]phenyl}hexadecane-1-sulfonamide
Wiley ID 1726535