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[1,2,4]Triazolo[1,5-a]pyrimidinium, 1,2-dihydro-5,7-dimethyl-2-oxo-3-[3-(phenylmethoxy)propyl]-, hydroxide, inner salt
SpectraBase Compound ID IIcdtCBYLY7
InChI InChI=1S/C17H20N4O2/c1-13-11-14(2)21-16(18-13)20(17(22)19-21)9-6-10-23-12-15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12H2,1-2H3
InChIKey KVZRVKBPYIKSPJ-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C17H20N4O2
Exact Mass 312.158626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Gc2C1scR5K
Name [1,2,4]Triazolo[1,5-a]pyrimidinium, 1,2-dihydro-5,7-dimethyl-2-oxo-3-[3-(phenylmethoxy)propyl]-, hydroxide, inner salt
CAS Registry Number 126085-75-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4O2
InChI InChI=1S/C17H20N4O2/c1-13-11-14(2)21-16(18-13)20(17(22)19-21)9-6-10-23-12-15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12H2,1-2H3
InChIKey KVZRVKBPYIKSPJ-UHFFFAOYSA-N
Molecular Weight 312.373 g/mol
SMILES c12[n+](nc([n]2CCCOCc2ccccc2)[O-])c(cc(n1)C)C
SPLASH splash10-0i90-0910000000-204ed39f1eac2aef505e
Source of Spectrum KC-1989-1731-3
Synonyms 1-[3-(benzyloxy)propyl]-5,7-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-4-ium-2-olate 3-(3-Benzyloxypropyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyri-midinium-2-olate
Wiley ID 1313254