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1-(trans-4-phenylcyclohexyl)-1-hexanone-p-tolylsulfonylhydrazone
SpectraBase Compound ID Iw033YNHMX6
InChI InChI=1S/C25H34N2O2S/c1-3-4-6-11-25(26-27-30(28,29)24-18-12-20(2)13-19-24)23-16-14-22(15-17-23)21-9-7-5-8-10-21/h5,7-10,12-13,18-19,22-23,27H,3-4,6,11,14-17H2,1-2H3/b26-25+/t22-,23-
InChIKey GDKPCJBTTNQZOM-SFRWMQEGSA-N
Mol Weight 426.6 g/mol
Molecular Formula C25H34N2O2S
Exact Mass 426.2341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fltu3HbCrtT
Name 1-(trans-4-phenylcyclohexyl)-1-hexanone-p-tolylsulfonylhydrazone
Alternate Name(s) 4-methyl-N'-[(E)-1-(4-phenylcyclohexyl)hexylidene]benzenesulfonohydrazide
CAS Registry Number 113035-83-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34N2O2S
InChI InChI=1S/C25H34N2O2S/c1-3-4-6-11-25(26-27-30(28,29)24-18-12-20(2)13-19-24)23-16-14-22(15-17-23)21-9-7-5-8-10-21/h5,7-10,12-13,18-19,22-23,27H,3-4,6,11,14-17H2,1-2H3/b26-25+/t22-,23-
InChIKey GDKPCJBTTNQZOM-SFRWMQEGSA-N
Molecular Weight 426.619 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)\N=C\([C@]1(CC[C@@](CC1)(c1ccccc1)[H])[H])CCCCC
SPLASH splash10-00di-0090100000-ddf31a68983772910f42
Source of Spectrum K-121-1043-11
Wiley ID 1380004