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7,8-dimethoxy-3a-methyl-5-(4-nitrophenyl)-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinoline
SpectraBase Compound ID 6xFhN0NPc6Q
InChI InChI=1S/C21H22N2O4/c1-21-10-4-5-17(21)15-11-18(26-2)19(27-3)12-16(15)20(22-21)13-6-8-14(9-7-13)23(24)25/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKey TWFAGWPSNIEOGT-UHFFFAOYSA-N
Mol Weight 366.42 g/mol
Molecular Formula C21H22N2O4
Exact Mass 366.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kvfy8MqAAfL
Name 7,8-dimethoxy-3a-methyl-5-(4-nitrophenyl)-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]isoquinoline
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4
InChI InChI=1S/C21H22N2O4/c1-21-10-4-5-17(21)15-11-18(26-2)19(27-3)12-16(15)20(22-21)13-6-8-14(9-7-13)23(24)25/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKey TWFAGWPSNIEOGT-UHFFFAOYSA-N
Instrument Name Agilent Technology 6890N/5975B
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3551
Molecular Weight 366.417 g/mol
SMILES c1c(c(cc2c1C1C(N=C2c2ccc(cc2)[N+]([O-])=O)(C)CCC1)OC)OC
SPLASH splash10-014r-0009000000-7d478e3aec612131f783
Source of Spectrum Y-56-1644-12d
Wiley ID 1859556