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4-[3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid ethyl ester
SpectraBase Compound ID JWEZb8nAPqT
InChI InChI=1S/C28H29N5O2/c1-2-35-28(34)18-14-16-19(17-15-18)33-25-13-6-4-9-21(25)27(32-33)24-12-7-11-23(29-24)26-20-8-3-5-10-22(20)30-31-26/h7,11-12,14-17H,2-6,8-10,13H2,1H3,(H,30,31)
InChIKey VHYNBCLMKGKZNK-UHFFFAOYSA-N
Mol Weight 467.57 g/mol
Molecular Formula C28H29N5O2
Exact Mass 467.232125 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JAHt68v79en
Name 4-[3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid ethyl ester
Alternate Name(s) 4-[3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-2-pyridyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid ethyl ester Ethyl 4-[3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-2-pyridyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoate Ethyl 4-[3-[6-(4,5,6,7-tetrahydro-1H-indazol-3-yl)pyridin-2-yl]-4,5,6,7-tetrahydroindazol-1-yl]benzoate
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Formula C28H29N5O2
InChI InChI=1S/C28H29N5O2/c1-2-35-28(34)18-14-16-19(17-15-18)33-25-13-6-4-9-21(25)27(32-33)24-12-7-11-23(29-24)26-20-8-3-5-10-22(20)30-31-26/h7,11-12,14-17H,2-6,8-10,13H2,1H3,(H,30,31)
InChIKey VHYNBCLMKGKZNK-UHFFFAOYSA-N
Molecular Weight 467.573 g/mol
SMILES [nH]1c2c(c(n1)-c1nc(-c3n[n](c4CCCCc34)-c3ccc(C(=O)OCC)cc3)ccc1)CCCC2
SPLASH splash10-014j-9106500000-9342b5b0e3e93a8d63a2
Source of Spectrum J-59-1770-12
Wiley ID 1392213