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(3aS,4R,7aS)-4-(benzylamino)-2-methyl-6-vinyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SpectraBase Compound ID 5igzazJsrnL
InChI InChI=1S/C18H20N2O2/c1-3-12-9-14-16(18(22)20(2)17(14)21)15(10-12)19-11-13-7-5-4-6-8-13/h3-8,10,14-16,19H,1,9,11H2,2H3/t14-,15+,16-/m0/s1
InChIKey BXEPTKZWGXWRFX-XHSDSOJGSA-N
Mol Weight 296.37 g/mol
Molecular Formula C18H20N2O2
Exact Mass 296.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HF5gbG0qO
Name (3aS,4R,7aS)-4-(benzylamino)-2-methyl-6-vinyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Appearance Yellow oil
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Formula C18H20N2O2
InChI InChI=1S/C18H20N2O2/c1-3-12-9-14-16(18(22)20(2)17(14)21)15(10-12)19-11-13-7-5-4-6-8-13/h3-8,10,14-16,19H,1,9,11H2,2H3/t14-,15+,16-/m0/s1
InChIKey BXEPTKZWGXWRFX-XHSDSOJGSA-N
Instrument Name Agilent HP 6890 series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510925
Molecular Weight 296.370 g/mol
Quality 77
Reported Formula C18H20N2O2
SMILES N([C@@]1(C=C(C[C@]2([C@@]1(C(N(C2=O)C)=O)[H])[H])C=C)[H])CC1=CC=CC=C1
SPLASH splash10-0a4l-9880000000-ce24e8ed1272949842b6
Source of Spectrum ACI-55-SM16-3f (DOI: 10.1002/anie.201510925)
Thin-Layer Chromatography 0.25 (petrol/EtOAc/Et3N, 70:30:1)
Wiley ID 1895401