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2,6-Bis[1-(carboxymethyl)-4,5,6,7-tetrahydrobenzopyrazol-3-yl]pyridine Bis(tertmethylammonium) Salt
SpectraBase Compound ID KjVlfCd77Vk
InChI InChI=1S/C23H25N5O4.2C4H12N/c29-20(30)12-27-18-10-3-1-6-14(18)22(25-27)16-8-5-9-17(24-16)23-15-7-2-4-11-19(15)28(26-23)13-21(31)32;2*1-5(2,3)4/h5,8-9H,1-4,6-7,10-13H2,(H,29,30)(H,31,32);2*1-4H3/q;2*+1/p-2
InChIKey MSJNXBKRQKKHOU-UHFFFAOYSA-L
Mol Weight 581.76 g/mol
Molecular Formula C31H47N7O4
Exact Mass 581.368953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ir3LGqaxJTo
Name 2,6-Bis[1-(carboxymethyl)-4,5,6,7-tetrahydrobenzopyrazol-3-yl]pyridine Bis(tertmethylammonium) Salt
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Formula C31H47N7O4
InChI InChI=1S/C23H25N5O4.2C4H12N/c29-20(30)12-27-18-10-3-1-6-14(18)22(25-27)16-8-5-9-17(24-16)23-15-7-2-4-11-19(15)28(26-23)13-21(31)32;2*1-5(2,3)4/h5,8-9H,1-4,6-7,10-13H2,(H,29,30)(H,31,32);2*1-4H3/q;2*+1/p-2
InChIKey MSJNXBKRQKKHOU-UHFFFAOYSA-L
Molecular Weight 581.762 g/mol
SMILES C[N+](C)(C)C.c1(n[n](c2c1CCCC2)CC([O-])=O)-c1nc(-c2n[n](CC([O-])=O)c3c2CCCC3)ccc1.C[N+](C)(C)C
SPLASH splash10-01pc-7035900000-506c59707d58535f097b
Source of Spectrum J-59-1770-13oo
Wiley ID 1408576