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1-Oxo-2-[N'-[(S)-2-(3,3-dimethyl-1-methoxybutyl)]formamidino]-6-methoxy-3,4-dihydroisoquinoline
SpectraBase Compound ID G4uf7vJMxRQ
InChI InChI=1S/C18H26N2O3/c1-18(2,3)11-16(23-5)19-12-20-9-8-13-10-14(22-4)6-7-15(13)17(20)21/h6-7,10,12,16H,8-9,11H2,1-5H3/b19-12+/t16-/m1/s1
InChIKey UDTAIQDMTICNKS-PUMYGXPMSA-N
Mol Weight 318.42 g/mol
Molecular Formula C18H26N2O3
Exact Mass 318.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Pxa7bKqfgY
Name 1-Oxo-2-[N'-[(S)-2-(3,3-dimethyl-1-methoxybutyl)]formamidino]-6-methoxy-3,4-dihydroisoquinoline
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Formula C18H26N2O3
InChI InChI=1S/C18H26N2O3/c1-18(2,3)11-16(23-5)19-12-20-9-8-13-10-14(22-4)6-7-15(13)17(20)21/h6-7,10,12,16H,8-9,11H2,1-5H3/b19-12+/t16-/m1/s1
InChIKey UDTAIQDMTICNKS-PUMYGXPMSA-N
Molecular Weight 318.417 g/mol
SMILES C1(N(\C=N\[C@@](CC(C)(C)C)(OC)[H])CCc2c1ccc(OC)c2)=O
SPLASH splash10-00b9-0960000000-02ebd98cff52d8b3f522
Source of Spectrum J-57-4737-14
Synonyms 1(2H)-Isoquinolinone 1-Oxo-2-[N'-[(R)-2-(3,3-dimethyl-1-methoxybutyl)]formamidino]-6-methoxy-3,4-dihydroisoquinoline 6-Methoxy-2-((E)-{[(E,1S)-1-methoxy-3,3-dimethylbutyl]imino}methyl)-3,4-dihydro-1(2H)-isoquinolinone
Wiley ID 1318563