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4-[3-[6-[1-(4-carbethoxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid ethyl ester
SpectraBase Compound ID 2EKLtuyujnO
InChI InChI=1S/C37H37N5O4/c1-3-45-36(43)24-16-20-26(21-17-24)41-32-14-7-5-10-28(32)34(39-41)30-12-9-13-31(38-30)35-29-11-6-8-15-33(29)42(40-35)27-22-18-25(19-23-27)37(44)46-4-2/h9,12-13,16-23H,3-8,10-11,14-15H2,1-2H3
InChIKey XRGJZQPCOINXQS-UHFFFAOYSA-N
Mol Weight 615.7 g/mol
Molecular Formula C37H37N5O4
Exact Mass 615.284555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjTlookRSy9
Name 4-[3-[6-[1-(4-carbethoxyphenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid ethyl ester
Alternate Name(s) 4-[3-[6-[1-(4-ethoxycarbonylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoic acid ethyl ester Ethyl 4-[3-[6-[1-(4-ethoxycarbonylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridyl]-4,5,6,7-tetrahydroindazol-1-yl]benzoate Ethyl 4-[3-[6-[1-(4-ethoxycarbonylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]pyridin-2-yl]-4,5,6,7-tetrahydroindazol-1-yl]benzoate
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Formula C37H37N5O4
InChI InChI=1S/C37H37N5O4/c1-3-45-36(43)24-16-20-26(21-17-24)41-32-14-7-5-10-28(32)34(39-41)30-12-9-13-31(38-30)35-29-11-6-8-15-33(29)42(40-35)27-22-18-25(19-23-27)37(44)46-4-2/h9,12-13,16-23H,3-8,10-11,14-15H2,1-2H3
InChIKey XRGJZQPCOINXQS-UHFFFAOYSA-N
Molecular Weight 615.734 g/mol
SMILES c12[n](nc(c1CCCC2)-c1nc(-c2n[n](-c3ccc(C(=O)OCC)cc3)c3c2CCCC3)ccc1)-c1ccc(C(=O)OCC)cc1
SPLASH splash10-014i-7010009000-e62cbd9531a7c387c19c
Source of Spectrum J-59-1770-11
Wiley ID 1411271