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

View entire compound with spectra: 1 MS (GC)

2,3,3a.alpha.,4.alpha.,6,11,11.alpha..beta.,11b.alpha.-octahydro-4-(4-dimethylaminophenyl)-2-methyl-1H-pyrrolo-[3',4':3,4]pyrrolo[1,2-b]isoquinoline-1,3-dione
SpectraBase Compound ID HIPtsm7PcQH
InChI InChI=1S/C23H25N3O2/c1-24(2)17-10-8-14(9-11-17)21-20-19(22(27)25(3)23(20)28)18-12-15-6-4-5-7-16(15)13-26(18)21/h4-11,18-21H,12-13H2,1-3H3/t18-,19-,20-,21+/m0/s1
InChIKey ZAHNLUHMOCFKTA-XSDIEEQYSA-N
Mol Weight 375.47 g/mol
Molecular Formula C23H25N3O2
Exact Mass 375.194677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBQu4PqbdWP
Name 2,3,3a.alpha.,4.alpha.,6,11,11.alpha..beta.,11b.alpha.-octahydro-4-(4-dimethylaminophenyl)-2-methyl-1H-pyrrolo-[3',4':3,4]pyrrolo[1,2-b]isoquinoline-1,3-dione
Alternate Name(s) (3aS,4S,11aS,11bR)-4-[4-(dimethylamino)phenyl]-2-methyl-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 111059-11-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O2
InChI InChI=1S/C23H25N3O2/c1-24(2)17-10-8-14(9-11-17)21-20-19(22(27)25(3)23(20)28)18-12-15-6-4-5-7-16(15)13-26(18)21/h4-11,18-21H,12-13H2,1-3H3/t18-,19-,20-,21+/m0/s1
InChIKey ZAHNLUHMOCFKTA-XSDIEEQYSA-N
Molecular Weight 375.472 g/mol
SMILES [C@]12([C@](C(=O)N(C2=O)C)([C@@](c2ccc(cc2)N(C)C)(N2[C@]1(Cc1c(cccc1)C2)[H])[H])[H])[H]
SPLASH splash10-004i-0029000000-2914e467040639628f59
Source of Spectrum KC-1988-2709-11
Wiley ID 1357291