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Pyrimidinium, 5-carboxy-4-(1,1-dimethylethyl)-2-(2,2-dimethylpropyl)-1,6-dimethyl-, hydroxide, inner salt
SpectraBase Compound ID 32EbzE7eOQK
InChI InChI=1S/C16H26N2O2/c1-10-12(14(19)20)13(16(5,6)7)17-11(18(10)8)9-15(2,3)4/h9H2,1-8H3
InChIKey XQRCLOJNMJOSOK-UHFFFAOYSA-N
Mol Weight 278.4 g/mol
Molecular Formula C16H26N2O2
Exact Mass 278.199428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFVoGBMyEKc
Name Pyrimidinium, 5-carboxy-4-(1,1-dimethylethyl)-2-(2,2-dimethylpropyl)-1,6-dimethyl-, hydroxide, inner salt
CAS Registry Number 108169-09-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26N2O2
InChI InChI=1S/C16H26N2O2/c1-10-12(14(19)20)13(16(5,6)7)17-11(18(10)8)9-15(2,3)4/h9H2,1-8H3
InChIKey XQRCLOJNMJOSOK-UHFFFAOYSA-N
Molecular Weight 278.396 g/mol
SMILES c1([n+](c(c(c(n1)C(C)(C)C)C([O-])=O)C)C)CC(C)(C)C
SPLASH splash10-016r-2490000000-d355dc722549899dbcf3
Source of Spectrum J-52-2465-3
Synonyms 4-tert-Butyl-1,6-dimethyl-2-(2,2-dimethylpropyl)pyrimidinium-5-carboxylate 4-tert-Butyl-1,6-dimethyl-2-neopentylpyrimidin-1-ium-5-carboxylate
Wiley ID 1282142