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Bis(tetramethylammonium) 2,6-Bis[1-(4-carboxylatophenyl)-4,5,6,7-tetrahydrindazol-3-yl]pyridine

View entire compound with spectra: 1 MS (GC)

Bis(tetramethylammonium) 2,6-Bis[1-(4-carboxylatophenyl)-4,5,6,7-tetrahydrindazol-3-yl]pyridine
SpectraBase Compound ID E4rAlWhstH4
InChI InChI=1S/C33H29N5O4.2C4H12N/c39-32(40)20-12-16-22(17-13-20)37-28-10-3-1-6-24(28)30(35-37)26-8-5-9-27(34-26)31-25-7-2-4-11-29(25)38(36-31)23-18-14-21(15-19-23)33(41)42;2*1-5(2,3)4/h5,8-9,12-19H,1-4,6-7,10-11H2,(H,39,40)(H,41,42);2*1-4H3/q;2*+1/p-2
InChIKey FMPVZFFAYYEZBS-UHFFFAOYSA-L
Mol Weight 705.9 g/mol
Molecular Formula C41H51N7O4
Exact Mass 705.400253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cb8BE7sfwu8
Name Bis(tetramethylammonium) 2,6-Bis[1-(4-carboxylatophenyl)-4,5,6,7-tetrahydrindazol-3-yl]pyridine
Alternate Name(s) 4-[3-[6-[1-(4-carboxylatophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoate; tetramethylammonium 4-[3-[6-[1-(4-carboxylatophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoate; tetramethylammonium 4-[3-[6-[1-(4-carboxylatophenyl)-4,5,6,7-tetrahydroindazol-3-yl]pyridin-2-yl]-4,5,6,7-tetrahydroindazol-1-yl]benzoate; tetramethylazanium bis(N,N,N-trimethylmethanaminium) 4-(3-{6-[1-(4-carboxylatophenyl)-4,5,6,7-tetrahydro-1H-indazol-3-yl]-2-pyridinyl}-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzoate 4-[3-[6-[1-(4-carboxylatophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoate;tetramethylammonium 4-[3-[6-[1-(4-carboxylatophenyl)-4,5,6,7-tetrahydroindazol-3-yl]pyridin-2-yl]-4,5,6,7-tetrahydroindazol-1-yl]benzoate;tetramethylazanium
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Formula C41H51N7O4
InChI InChI=1S/C33H29N5O4.2C4H12N/c39-32(40)20-12-16-22(17-13-20)37-28-10-3-1-6-24(28)30(35-37)26-8-5-9-27(34-26)31-25-7-2-4-11-29(25)38(36-31)23-18-14-21(15-19-23)33(41)42;2*1-5(2,3)4/h5,8-9,12-19H,1-4,6-7,10-11H2,(H,39,40)(H,41,42);2*1-4H3/q;2*+1/p-2
InChIKey FMPVZFFAYYEZBS-UHFFFAOYSA-L
Molecular Weight 705.904 g/mol
SMILES C[N+](C)(C)C.c12[n](nc(c1CCCC2)-c1nc(-c2n[n](-c3ccc(C([O-])=O)cc3)c3c2CCCC3)ccc1)-c1ccc(C([O-])=O)cc1.C[N+](C)(C)C
SPLASH splash10-0c00-9332000000-368561e98d33b7d6593c
Source of Spectrum J-63-238-1
Wiley ID 1415190