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Pyrimidinium, 5-carboxy-4-(1,1-dimethylethyl)-1,6-dimethyl-2-(1-methylethyl)-, hydroxide, inner salt

View entire compound with spectra: 1 MS (GC)

Pyrimidinium, 5-carboxy-4-(1,1-dimethylethyl)-1,6-dimethyl-2-(1-methylethyl)-, hydroxide, inner salt
SpectraBase Compound ID HNSnF35SmeT
InChI InChI=1S/C14H22N2O2/c1-8(2)12-15-11(14(4,5)6)10(13(17)18)9(3)16(12)7/h8H,1-7H3
InChIKey PCBLYEAOGITDCM-UHFFFAOYSA-N
Mol Weight 250.34 g/mol
Molecular Formula C14H22N2O2
Exact Mass 250.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BEpPTEWx2T
Name Pyrimidinium, 5-carboxy-4-(1,1-dimethylethyl)-1,6-dimethyl-2-(1-methylethyl)-, hydroxide, inner salt
CAS Registry Number 108169-08-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22N2O2
InChI InChI=1S/C14H22N2O2/c1-8(2)12-15-11(14(4,5)6)10(13(17)18)9(3)16(12)7/h8H,1-7H3
InChIKey PCBLYEAOGITDCM-UHFFFAOYSA-N
Molecular Weight 250.342 g/mol
SMILES c1([n+](c(c(c(n1)C(C)(C)C)C([O-])=O)C)C)C(C)C
SPLASH splash10-0006-2930000000-04b418a72cf8b21ca368
Source of Spectrum J-52-2465-3
Synonyms 4-tert-Butyl-1,6-dimethyl-2-isopropylpyrimidinium-5-carboxylate 4-tert-Butyl-2-isopropyl-1,6-dimethylpyrimidin-1-ium-5-carboxylate
Wiley ID 1253427