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(3aRS,4SR,7RS,7aSR)-2-Benzyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1,3(2H)-dione
SpectraBase Compound ID HkYvVJJjE0h
InChI InChI=1S/C16H15NO2/c18-15-13-11-6-7-12(8-11)14(13)16(19)17(15)9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2/t11-,12+,13+,14-
InChIKey QKZKKFXTPSCYQI-LVEBTZEWSA-N
Mol Weight 253.3 g/mol
Molecular Formula C16H15NO2
Exact Mass 253.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D33aELfJ4jl
Name (3aRS,4SR,7RS,7aSR)-2-Benzyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-1,3(2H)-dione
Alternate Name(s) (3aR,4S,7R,7aS)-2-benzyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Comments Removed - expert review: contamination (CHCl3); A corrected record has been addded having SpectrumID: 1821361
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Formula C16H15NO2
InChI InChI=1S/C16H15NO2/c18-15-13-11-6-7-12(8-11)14(13)16(19)17(15)9-10-4-2-1-3-5-10/h1-7,11-14H,8-9H2/t11-,12+,13+,14-
InChIKey QKZKKFXTPSCYQI-LVEBTZEWSA-N
Molecular Weight 253.301 g/mol
SMILES C1(N(C([C@@]2([C@]3(C=C[C@@]([C@]12[H])(C3)[H])[H])[H])=O)Cc1ccccc1)=O
SPLASH splash10-001r-9000000000-98528acf998ed1fe2c4c
Source of Spectrum U1-2013-6726-14
Wiley ID 1736179