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8-methoxy-9-hydroxy-3a,4,5,6-tetrahydro-1H-benzo-[de][1,6]naphthyridin-2(3H)-one
SpectraBase Compound ID Ljk5ho57Vq6
InChI InChI=1S/C12H14N2O3/c1-17-8-4-6-2-3-13-7-5-9(15)14-11(10(6)7)12(8)16/h4,7,13,16H,2-3,5H2,1H3,(H,14,15)
InChIKey KBCRAQLUJBRLPL-UHFFFAOYSA-N
Mol Weight 234.25 g/mol
Molecular Formula C12H14N2O3
Exact Mass 234.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUTtVMGDBPU
Name 8-methoxy-9-hydroxy-3a,4,5,6-tetrahydro-1H-benzo-[de][1,6]naphthyridin-2(3H)-one
Alternate Name(s) 9-hydroxy-8-methoxy-3a,4,5,6-tetrahydro-1H-benzo[de][1,6]naphthyridin-2(3H)-one
CAS Registry Number 105400-89-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O3
InChI InChI=1S/C12H14N2O3/c1-17-8-4-6-2-3-13-7-5-9(15)14-11(10(6)7)12(8)16/h4,7,13,16H,2-3,5H2,1H3,(H,14,15)
InChIKey KBCRAQLUJBRLPL-UHFFFAOYSA-N
Molecular Weight 234.255 g/mol
SMILES N1CCc2c3c(c(c(c2)OC)O)NC(CC13)=O
SPLASH splash10-001i-0090000000-06a58551dae79848c312
Source of Spectrum J-52-621-25
Wiley ID 1235770