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1-Cyclohexyl-4-(1-phenyltetrazol-5-ylsulfonyl)butanone
SpectraBase Compound ID KkBpZ19CpOS
InChI InChI=1S/C17H22N4O3S/c22-16(14-8-3-1-4-9-14)12-7-13-25(23,24)17-18-19-20-21(17)15-10-5-2-6-11-15/h2,5-6,10-11,14H,1,3-4,7-9,12-13H2
InChIKey ROTJYZAVVIXCFC-UHFFFAOYSA-N
Mol Weight 362.45 g/mol
Molecular Formula C17H22N4O3S
Exact Mass 362.141262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fSxK88NLqS
Name 1-Cyclohexyl-4-(1-phenyltetrazol-5-ylsulfonyl)butanone
Alternate Name(s) 1-cyclohexyl-4-[(1-phenyl-1H-tetraazol-5-yl)sulfonyl]-1-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N4O3S
InChI InChI=1S/C17H22N4O3S/c22-16(14-8-3-1-4-9-14)12-7-13-25(23,24)17-18-19-20-21(17)15-10-5-2-6-11-15/h2,5-6,10-11,14H,1,3-4,7-9,12-13H2
InChIKey ROTJYZAVVIXCFC-UHFFFAOYSA-N
Molecular Weight 362.448 g/mol
SMILES c1([n](nnn1)-c1ccccc1)S(=O)(=O)CCCC(=O)C1CCCCC1
SPLASH splash10-053u-9000000000-e20262e22ec9687d8cc2
Source of Spectrum E1-37-961-10
Wiley ID 1517649