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(3aS,4R,7aS)-2-methyl-4-pyrrolidin-1-yl-6-vinyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SpectraBase Compound ID DkpXqMzTFmA
InChI InChI=1S/C15H20N2O2/c1-3-10-8-11-13(15(19)16(2)14(11)18)12(9-10)17-6-4-5-7-17/h3,9,11-13H,1,4-8H2,2H3/t11-,12+,13-/m0/s1
InChIKey NFEZRBATWUCZCX-XQQFMLRXSA-N
Mol Weight 260.34 g/mol
Molecular Formula C15H20N2O2
Exact Mass 260.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LksDK5S4PBi
Name (3aS,4R,7aS)-2-methyl-4-pyrrolidin-1-yl-6-vinyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Appearance Yellow needles
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20N2O2
InChI InChI=1S/C15H20N2O2/c1-3-10-8-11-13(15(19)16(2)14(11)18)12(9-10)17-6-4-5-7-17/h3,9,11-13H,1,4-8H2,2H3/t11-,12+,13-/m0/s1
InChIKey NFEZRBATWUCZCX-XQQFMLRXSA-N
Instrument Name Agilent HP 6890 series
Ionization Type EI
Literature Reference DOI 10.1002/anie.201510925
Molecular Weight 260.337 g/mol
Quality 101
Reported Formula C15H20N2O2
SMILES C=1[C@]([C@@]2([C@](CC1C=C)(C(N(C2=O)C)=O)[H])[H])(N1CCCC1)[H]
SPLASH splash10-03k9-5290000000-eba5405ab66d3b084467
Source of Spectrum ACI-55-SM14-3c (DOI: 10.1002/anie.201510925)
Thin-Layer Chromatography 0.15 (petrol/EtOAc/Et3N, 70:30:1)
Wiley ID 1895398