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5-Pyrimidinecarboxylic acid, 4-(4-aminobutyl)-2,6-dimethyl-
SpectraBase Compound ID Dy3PZkrXDug
InChI InChI=1S/C11H17N3O2/c1-7-10(11(15)16)9(5-3-4-6-12)14-8(2)13-7/h3-6,12H2,1-2H3,(H,15,16)
InChIKey QSMXDQAJZNXFBE-UHFFFAOYSA-N
Mol Weight 223.28 g/mol
Molecular Formula C11H17N3O2
Exact Mass 223.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3as7anIk2X
Name 5-Pyrimidinecarboxylic acid, 4-(4-aminobutyl)-2,6-dimethyl-
CAS Registry Number 108169-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H17N3O2
InChI InChI=1S/C11H17N3O2/c1-7-10(11(15)16)9(5-3-4-6-12)14-8(2)13-7/h3-6,12H2,1-2H3,(H,15,16)
InChIKey QSMXDQAJZNXFBE-UHFFFAOYSA-N
Molecular Weight 223.276 g/mol
SMILES [NH3+]CCCCc1c(c(nc(n1)C)C)C([O-])=O
SPLASH splash10-00lr-8900000000-eb5377bf10c0b0de2815
Source of Spectrum J-52-2465-6
Synonyms 4-(4-ammoniobutyl)-2,6-dimethyl-5-pyrimidinecarboxylate 4-(4-Ammoniobutyl)-2,6-dimethylpyrimidine-5-carboxylate 4-(4-aminobutyl)-2,6-dimethyl-5-pyrimidinecarboxylic acid 4-(4-aminobutyl)-2,6-dimethylpyrimidine-5-carboxylic acid 4-(4-azanylbutyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid
Wiley ID 1223942