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4-Benzyl-2-methoxy-9-methyl-2,9-dihydro-1H-pyrido[3,4-b]indol-1-one
SpectraBase Compound ID LqepLorQNwa
InChI InChI=1S/C20H18N2O2/c1-21-17-11-7-6-10-16(17)18-15(12-14-8-4-3-5-9-14)13-22(24-2)20(23)19(18)21/h3-11,13H,12H2,1-2H3
InChIKey JESSWNWWQFOXSR-UHFFFAOYSA-N
Mol Weight 318.38 g/mol
Molecular Formula C20H18N2O2
Exact Mass 318.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YZvNGUFZeL
Name 4-Benzyl-2-methoxy-9-methyl-2,9-dihydro-1H-pyrido[3,4-b]indol-1-one
Appearance Yellow solid
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Exact Mass 318.136827826 u
Formula C20H18N2O2
InChI InChI=1S/C20H18N2O2/c1-21-17-11-7-6-10-16(17)18-15(12-14-8-4-3-5-9-14)13-22(24-2)20(23)19(18)21/h3-11,13H,12H2,1-2H3
InChIKey JESSWNWWQFOXSR-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710776
Molecular Weight 318.376 g/mol
Reported Formula C20H18N2O2
SMILES C1(=CC=CC=C1)CC1=CN(C(C=2N(C3=C(C12)C=CC=C3)C)=O)OC
SPLASH splash10-00kr-0093000000-fb330039df818adae41f
Source of Spectrum ACI-56-SM51-3va (DOI: 10.1002/anie.201710776)
Thin-Layer Chromatography 0.3 (pentane/EtOAc, 2:1)
Wiley ID 1896667