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2-((1R,2R)-2,3-Dihydro-2-prop-1-enyl-1H-indan-1-yl)-3,3-dimethyl-2-(N-methylanilino)butane-1,4-dinitrile
SpectraBase Compound ID hQOR5Y0WiG
InChI InChI=1S/C25H27N3/c1-5-11-20-16-19-12-9-10-15-22(19)23(20)25(18-27,24(2,3)17-26)28(4)21-13-7-6-8-14-21/h5-15,20,23H,16H2,1-4H3/b11-5+/t20-,23+,25?/m0/s1
InChIKey SWJDOFOAYBHGHH-AMNGTVAUSA-N
Mol Weight 369.51 g/mol
Molecular Formula C25H27N3
Exact Mass 369.220498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4HSrjLOmSn
Name 2-((1R,2R)-2,3-Dihydro-2-prop-1-enyl-1H-indan-1-yl)-3,3-dimethyl-2-(N-methylanilino)butane-1,4-dinitrile
Comments Less than 3 mono-isotopic peaks
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Formula C25H27N3
InChI InChI=1S/C25H27N3/c1-5-11-20-16-19-12-9-10-15-22(19)23(20)25(18-27,24(2,3)17-26)28(4)21-13-7-6-8-14-21/h5-15,20,23H,16H2,1-4H3/b11-5+/t20-,23+,25?/m0/s1
InChIKey SWJDOFOAYBHGHH-AMNGTVAUSA-N
Molecular Weight 369.512 g/mol
SMILES C([C@@]1([C@](Cc2c1cccc2)(\C=C\C)[H])[H])(N(c1ccccc1)C)(C(C#N)(C)C)C#N
SPLASH splash10-03di-0090000000-3c6c50e0c78365649dc9
Source of Spectrum KC-0-885-22
Synonyms (3S)-2,2-dimethyl-3-(methylanilino)-3-{(1R,2R)-2-[(1E)-1-propenyl]-2,3-dihydro-1H-inden-1-yl}butanedinitrile cis-2-(2,3-Dihydro-2-prop-1-enyl-1H-indan-1-yl)-3,3-dimethyl-2-(N-methylanilino)butane-1,4-dinitrile trans-2-(2,3-Dihydro-2-prop-1-enyl-1H-indan-1-yl)-3,3-dimethyl-2-(N-methylanilino)butane-1,4-dinitrile
Wiley ID 783330