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2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]propanoate
SpectraBase Compound ID 4GesE3K5lbV
InChI InChI=1S/C16H22N2O4/c1-9(15(19)20)17-14-11-7-13(22-5)12(21-4)6-10(11)8-16(2,3)18-14/h6-7,9H,8H2,1-5H3,(H,17,18)(H,19,20)
InChIKey CMQWJGPWRZSAOO-UHFFFAOYSA-N
Mol Weight 306.36 g/mol
Molecular Formula C16H22N2O4
Exact Mass 306.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSk9TAKV9UK
Name 2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]propanoate
Alternate Name(s) 2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ammonio]propionate 2-[(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]propanoate 2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid 2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propionic acid
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Formula C16H22N2O4
InChI InChI=1S/C16H22N2O4/c1-9(15(19)20)17-14-11-7-13(22-5)12(21-4)6-10(11)8-16(2,3)18-14/h6-7,9H,8H2,1-5H3,(H,17,18)(H,19,20)
InChIKey CMQWJGPWRZSAOO-UHFFFAOYSA-N
Molecular Weight 306.362 g/mol
SMILES N(C1=NC(C)(C)Cc2c1cc(c(OC)c2)OC)C(C(=O)O)C
SPLASH splash10-01p2-4590000000-5f97d20a13259555c209
Wiley ID 1452477