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(1S,2R,4R)-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acidphenylamide-2-yl (E)-3-(pyrrolidin-1-yl)pent-2-enoate
SpectraBase Compound ID DRrdnXc8UCH
InChI InChI=1S/C25H34N2O3/c1-4-20(27-14-8-9-15-27)17-22(28)30-21-16-18-12-13-25(21,24(18,2)3)23(29)26-19-10-6-5-7-11-19/h5-7,10-11,17-18,21H,4,8-9,12-16H2,1-3H3,(H,26,29)/b20-17+/t18-,21-,25+/m1/s1
InChIKey CZDMKLACJHIDLS-CKTRRLQNSA-N
Mol Weight 410.6 g/mol
Molecular Formula C25H34N2O3
Exact Mass 410.256943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASuEl5RntO7
Name (1S,2R,4R)-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acidphenylamide-2-yl (E)-3-(pyrrolidin-1-yl)pent-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C25H34N2O3
InChI InChI=1S/C25H34N2O3/c1-4-20(27-14-8-9-15-27)17-22(28)30-21-16-18-12-13-25(21,24(18,2)3)23(29)26-19-10-6-5-7-11-19/h5-7,10-11,17-18,21H,4,8-9,12-16H2,1-3H3,(H,26,29)/b20-17+/t18-,21-,25+/m1/s1
InChIKey CZDMKLACJHIDLS-CKTRRLQNSA-N
Molecular Weight 410.558 g/mol
SMILES N(C([C@@]12C([C@]([H])(CC2)C[C@]1(OC(\C=C/(N1CCCC1)CC)=O)[H])(C)C)=O)c1ccccc1
SPLASH splash10-03di-0000900000-937b74e0354535e8771b
Source of Spectrum F-67-933-4m
Wiley ID 1685581