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1-((4R)-1-benzyl-4-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-c]quinolin-5(9bH)-yl)ethanone
SpectraBase Compound ID AGrcZynMPgr
InChI InChI=1S/C26H26N2O/c1-19(29)28-24-15-9-8-14-22(24)26-23(25(28)21-12-6-3-7-13-21)16-17-27(26)18-20-10-4-2-5-11-20/h2-15,23,25-26H,16-18H2,1H3/t23-,25-,26+/m0/s1
InChIKey MBISHJSBRROMNZ-AYRHNUGRSA-N
Mol Weight 382.51 g/mol
Molecular Formula C26H26N2O
Exact Mass 382.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DccJs9u77Tp
Name 1-((4R)-1-benzyl-4-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-c]quinolin-5(9bH)-yl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26N2O
InChI InChI=1S/C26H26N2O/c1-19(29)28-24-15-9-8-14-22(24)26-23(25(28)21-12-6-3-7-13-21)16-17-27(26)18-20-10-4-2-5-11-20/h2-15,23,25-26H,16-18H2,1H3/t23-,25-,26+/m0/s1
InChIKey MBISHJSBRROMNZ-AYRHNUGRSA-N
Instrument Name HRMS
Ionization Type EI
Molecular Weight 382.507 g/mol
Optical Rotation [a]D20 = -52.7 (0.435, CHCl3)
Reported Formula C26H26N2O
SMILES c1ccc2c(c1)[C@@]1([C@]([C@@](N2C(=O)C)(c2ccccc2)[H])(CCN1Cc1ccccc1)[H])[H]
SPLASH splash10-000x-8159000000-f97520799c3e409d8782
Sample Comments 93% ee
Source of Spectrum CN101723893A
Wiley ID 1841628