SpectraBase Compound ID | 8aFTFXxDzBG |
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InChI | InChI=1S/C23H32N2.CH4O3S/c1-3-9-18(10-4-1)21-14-7-15-22(21)25-23(17-20-13-8-16-24-20)19-11-5-2-6-12-19;1-5(2,3)4/h2,5-6,11-12,17-18,21-22,24H,1,3-4,7-10,13-16H2;1H3,(H,2,3,4)/b20-17+,25-23-;/t21-,22-;/m1./s1 |
InChIKey | CPMAMXBGOCUFDN-PPVMFYJRSA-N |
Mol Weight | 432.62 g/mol |
Molecular Formula | C24H36N2O3S |
Exact Mass | 432.244664 g/mol |
SpectraBase Spectrum ID | LVY8So6sKsx |
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Name | 2-{2-[(cis-2-cyclohexylcyclopentyl)imino]-2-phenylethylidene}pyrrolidine methanesulfonate |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C24H36N2O3S |
InChI | InChI=1S/C23H32N2.CH4O3S/c1-3-9-18(10-4-1)21-14-7-15-22(21)25-23(17-20-13-8-16-24-20)19-11-5-2-6-12-19;1-5(2,3)4/h2,5-6,11-12,17-18,21-22,24H,1,3-4,7-10,13-16H2;1H3,(H,2,3,4)/b20-17+,25-23-;/t21-,22-;/m1./s1 |
InChIKey | CPMAMXBGOCUFDN-PPVMFYJRSA-N |
Molecular Weight | 432.623 g/mol |
SMILES | N1CCC\C1=C\C(=N\[C@]1([C@@](C2CCCCC2)(CCC1)[H])[H])c1ccccc1.OS(=O)(=O)C |
SPLASH | splash10-000i-0729000000-45e25d0b2878c79af49e |
Source of Spectrum | H-68-1240-6 |
Wiley ID | 1382302 |