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6H-Pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(5H,10H)-dione, 8,8a,11a,11b-tetrahydro-10-methyl-8-phenyl-, (8.alpha.,8a.alpha.,11a.alpha.,11b.beta.)-
SpectraBase Compound ID 38Px1RtuQu8
InChI InChI=1S/C21H20N2O2/c1-22-20(24)16-17(21(22)25)19-15-10-6-5-7-13(15)11-12-23(19)18(16)14-8-3-2-4-9-14/h2-10,16-19H,11-12H2,1H3/t16-,17?,18+,19?/m0/s1
InChIKey NPYDHNLOGOQJOO-BKVYNOPKSA-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 KCgScM7xZd2
Name 6H-Pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(5H,10H)-dione, 8,8a,11a,11b-tetrahydro-10-methyl-8-phenyl-, (8.alpha.,8a.alpha.,11a.alpha.,11b.beta.)-
CAS Registry Number 111059-16-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O2
InChI InChI=1S/C21H20N2O2/c1-22-20(24)16-17(21(22)25)19-15-10-6-5-7-13(15)11-12-23(19)18(16)14-8-3-2-4-9-14/h2-10,16-19H,11-12H2,1H3/t16-,17?,18+,19?/m0/s1
InChIKey NPYDHNLOGOQJOO-BKVYNOPKSA-N
Molecular Weight 332.403 g/mol
SMILES C12[C@](C(=O)N(C2=O)C)([C@@](c2ccccc2)(N2C1c1c(CC2)cccc1)[H])[H]
SPLASH splash10-0089-0079000000-5387780bfbd0d437a2e0
Source of Spectrum KC-1988-2700-44
Synonyms 2,3,3a.alpha.,4.beta.,6,7,11b.alpha.,11c.alpha.-octahydro-2-methyl-4-phenyl-1H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-1,3-dione 1,3,3a.alpha.,4.alpha.,6,7,11b.beta.,11c.alpha.-Octahydro-2-methyl-4-phenyl-1H-pyrrolo[3',4'-3,4]pyrrolo[2,1-a]isoquinoline-1,3-dione (8S,8aS)-10-methyl-8-phenyl-8,8a,11a,11b-tetrahydro-6H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(5H,10H)-dione 2,3,3a.alpha.,4.beta.,6,7,11b.beta.,11c.alpha.-octahydro-2-methyl-4-phenylpyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-1,3-dione
Wiley ID 1329703