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Pyrazolo[1,5-a]pyrimidine, 5-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-[(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)-
SpectraBase Compound ID 8a7Elda62b3
InChI InChI=1S/C28H33F4N5O/c29-21-3-1-20(2-4-21)22-12-24(28(30,31)32)37-25(33-22)13-23(34-37)26(38)35-5-7-36(8-6-35)27-14-17-9-18(15-27)11-19(10-17)16-27/h1-4,13,17-19,22,24,33H,5-12,14-16H2/t17-,18+,19-,22?,24?,27-
InChIKey SMXGJCRSRYGRBF-UIOPNWERSA-N
Mol Weight 531.6 g/mol
Molecular Formula C28H33F4N5O
Exact Mass 531.262123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hhthhA2yJC
Name Pyrazolo[1,5-a]pyrimidine, 5-(4-fluorophenyl)-4,5,6,7-tetrahydro-2-[(4-tricyclo[3.3.1.1(3,7)]dec-1-yl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)-
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Formula C28H33F4N5O
InChI InChI=1S/C28H33F4N5O/c29-21-3-1-20(2-4-21)22-12-24(28(30,31)32)37-25(33-22)13-23(34-37)26(38)35-5-7-36(8-6-35)27-14-17-9-18(15-27)11-19(10-17)16-27/h1-4,13,17-19,22,24,33H,5-12,14-16H2/t17-,18+,19-,22?,24?,27-
InChIKey SMXGJCRSRYGRBF-UIOPNWERSA-N
Molecular Weight 531.600 g/mol
SMILES N1C(CC([n]2c1cc(n2)C(N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)=O)C(F)(F)F)c1ccc(cc1)F
SPLASH splash10-002r-4902000000-565e1b4b4d74083f923e
Source of Spectrum IY-1-4701-4
Wiley ID 1654997