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2,3,3a.alpha.,4.beta.,6,11,11a.alpha.,11b.alpha.-octahydro-2-methyl-4-phenyl-1H-pyrrolo[3',4':3,4]pyrrolo-[1,2-b]isoquinoline-1,3-dione

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2,3,3a.alpha.,4.beta.,6,11,11a.alpha.,11b.alpha.-octahydro-2-methyl-4-phenyl-1H-pyrrolo[3',4':3,4]pyrrolo-[1,2-b]isoquinoline-1,3-dione
SpectraBase Compound ID KDhV6OIOJf8
InChI InChI=1S/C21H20N2O2/c1-22-20(24)17-16-11-14-9-5-6-10-15(14)12-23(16)19(18(17)21(22)25)13-7-3-2-4-8-13/h2-10,16-19H,11-12H2,1H3/t16-,17+,18+,19+/m0/s1
InChIKey BDPCSLWSQKBAFZ-WJFTUGDTSA-N
Mol Weight 332.4 g/mol
Molecular Formula C21H20N2O2
Exact Mass 332.152478 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADYFuCRBXp5
Name 2,3,3a.alpha.,4.beta.,6,11,11a.alpha.,11b.alpha.-octahydro-2-methyl-4-phenyl-1H-pyrrolo[3',4':3,4]pyrrolo-[1,2-b]isoquinoline-1,3-dione
Alternate Name(s) (3aR,4S,11aS,11bS)-2-methyl-4-phenyl-3a,4,6,11,11a,11b-hexahydro-1H-pyrrolo[3',4':3,4]pyrrolo[1,2-b]isoquinoline-1,3(2H)-dione
CAS Registry Number 111157-55-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O2
InChI InChI=1S/C21H20N2O2/c1-22-20(24)17-16-11-14-9-5-6-10-15(14)12-23(16)19(18(17)21(22)25)13-7-3-2-4-8-13/h2-10,16-19H,11-12H2,1H3/t16-,17+,18+,19+/m0/s1
InChIKey BDPCSLWSQKBAFZ-WJFTUGDTSA-N
Molecular Weight 332.403 g/mol
SMILES [C@@]12([C@@](C(=O)N(C2=O)C)([C@@](c2ccccc2)(N2[C@]1(Cc1c(cccc1)C2)[H])[H])[H])[H]
SPLASH splash10-0f89-0729000000-0e686a819b0b22951492
Source of Spectrum KC-1988-2697-13
Wiley ID 1329696