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1,3-bis{N-[1'-(Ethynyl)]-perhydroindan-2'-amino}-propane
SpectraBase Compound ID 8oUxJhchpUj
InChI InChI=1S/C25H38N2/c1-3-20-22-12-7-5-10-18(22)16-24(20)26-14-9-15-27-25-17-19-11-6-8-13-23(19)21(25)4-2/h1-2,18-27H,5-17H2/t18-,19-,20?,21?,22+,23+,24+,25+/m0/s1
InChIKey CPLKIOHPKOKYIU-TVAOZTJHSA-N
Mol Weight 366.6 g/mol
Molecular Formula C25H38N2
Exact Mass 366.303499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dhzdbejDs
Name 1,3-bis{N-[1'-(Ethynyl)]-perhydroindan-2'-amino}-propane
Alternate Name(s) N,N'-Bis-((1R,2R,3aS,7aR)-1-ethynyl-octahydro-inden-2-yl)-propane-1,3-diamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38N2
InChI InChI=1S/C25H38N2/c1-3-20-22-12-7-5-10-18(22)16-24(20)26-14-9-15-27-25-17-19-11-6-8-13-23(19)21(25)4-2/h1-2,18-27H,5-17H2/t18-,19-,20?,21?,22+,23+,24+,25+/m0/s1
InChIKey CPLKIOHPKOKYIU-TVAOZTJHSA-N
Molecular Weight 366.593 g/mol
SMILES N([C@]1(C([C@]2([C@](CCCC2)([H])C1)[H])C#C)[H])CCCN[C@]1(C([C@@]2(CCCC[C@]2(C1)[H])[H])C#C)[H]
SPLASH splash10-057l-9400000000-f5bc52907dfc6c380199
Source of Spectrum C-117-10912-41b
Wiley ID 1698227