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3-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid
SpectraBase Compound ID AYJD4ARLrlD
InChI InChI=1S/C16H22N2O4/c1-16(2)9-10-7-12(21-3)13(22-4)8-11(10)15(18-16)17-6-5-14(19)20/h7-8H,5-6,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKey ABVKMNAJFZPWTA-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 kTcKYav1Ag
Name 3-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propanoic acid
Alternate Name(s) 3-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)amino]propionic acid Propanoic acid, 3-(3,4-dihydro-6,7-dimethoxy-3,3-dimethyl-1-isoquinolinylamino)-
CAS Registry Number 299923-04-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O4
InChI InChI=1S/C16H22N2O4/c1-16(2)9-10-7-12(21-3)13(22-4)8-11(10)15(18-16)17-6-5-14(19)20/h7-8H,5-6,9H2,1-4H3,(H,17,18)(H,19,20)
InChIKey ABVKMNAJFZPWTA-UHFFFAOYSA-N
Molecular Weight 306.362 g/mol
SMILES N(C1=NC(C)(C)Cc2c1cc(c(OC)c2)OC)CCC(=O)O
SPLASH splash10-0006-5391000000-00f908f796cc2eb6aad6
Source of Spectrum AD-0-2532-0
Wiley ID 1431821