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Ethyl 8-methyl-4-oxo-2-phenyl-3,4,5,8,9,10-hexahydropyrimido[4,5-d]azocine-6-carboxylate
SpectraBase Compound ID KrR2mNucrsK
InChI InChI=1S/C19H21N3O3/c1-3-25-19(24)14-11-15-16(9-10-22(2)12-14)20-17(21-18(15)23)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,20,21,23)/b14-12+
InChIKey SDNOBZFALWNABY-WYMLVPIESA-N
Mol Weight 339.4 g/mol
Molecular Formula C19H21N3O3
Exact Mass 339.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E37e548dqs9
Name Ethyl 8-methyl-4-oxo-2-phenyl-3,4,5,8,9,10-hexahydropyrimido[4,5-d]azocine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N3O3
InChI InChI=1S/C19H21N3O3/c1-3-25-19(24)14-11-15-16(9-10-22(2)12-14)20-17(21-18(15)23)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,20,21,23)/b14-12+
InChIKey SDNOBZFALWNABY-WYMLVPIESA-N
Molecular Weight 339.395 g/mol
SMILES N1C(C=2C\C(=C/N(CCC2N=C1c1ccccc1)C)C(=O)OCC)=O
SPLASH splash10-0007-9661000000-df0ddc77a4b880b6b737
Source of Spectrum AT-47-1001-4
Wiley ID 1639654