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anti-(R*a*,1'R*)-N,N-(Diisopropyl)-8-dimethylamino-2-(1'-hydroxynon-2'-ynyl)-1-naphthamide
SpectraBase Compound ID J5630omxXwx
InChI InChI=1S/C28H40N2O2/c1-8-9-10-11-12-13-17-25(31)23-19-18-22-15-14-16-24(29(6)7)26(22)27(23)28(32)30(20(2)3)21(4)5/h14-16,18-21,25,31H,8-12H2,1-7H3/t25-/m0/s1
InChIKey GOVOMLAWMBAXJT-VWLOTQADSA-N
Mol Weight 436.6 g/mol
Molecular Formula C28H40N2O2
Exact Mass 436.308979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62bmA88cfWe
Name anti-(R*a*,1'R*)-N,N-(Diisopropyl)-8-dimethylamino-2-(1'-hydroxynon-2'-ynyl)-1-naphthamide
Alternate Name(s) anti-(1'R*)-N,N-Diisopropyl-8-dimethylamino-2-(1'-hydroxy-non-2'-ynyl)-1-naphthamide
Comments Less than 3 mono-isotopic peaks
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Formula C28H40N2O2
InChI InChI=1S/C28H40N2O2/c1-8-9-10-11-12-13-17-25(31)23-19-18-22-15-14-16-24(29(6)7)26(22)27(23)28(32)30(20(2)3)21(4)5/h14-16,18-21,25,31H,8-12H2,1-7H3/t25-/m0/s1
InChIKey GOVOMLAWMBAXJT-VWLOTQADSA-N
Molecular Weight 436.640 g/mol
SMILES O[C@@](C#CCCCCCC)(c1c(C(N(C(C)C)C(C)C)=O)c2c(N(C)C)cccc2cc1)[H]
SPLASH splash10-004r-5090000000-34266c7b98a2260d3d31
Source of Spectrum KC-0-3245-45
Wiley ID 831685