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(4S,8aS)-4-(4-chlorophenyl)-3-phenyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
SpectraBase Compound ID D1mpiSDasIv
InChI InChI=1S/C20H19ClN4/c21-16-10-8-15(9-11-16)19-20-18(14-5-2-1-3-6-14)22-23-25(20)13-17-7-4-12-24(17)19/h1-3,5-6,8-11,17,19H,4,7,12-13H2/t17-,19-/m0/s1
InChIKey SEXJCNBJLKNZFG-HKUYNNGSSA-N
Mol Weight 350.85 g/mol
Molecular Formula C20H19ClN4
Exact Mass 350.129824 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zI1W5dghOI
Name (4S,8aS)-4-(4-chlorophenyl)-3-phenyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
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Formula C20H19ClN4
InChI InChI=1S/C20H19ClN4/c21-16-10-8-15(9-11-16)19-20-18(14-5-2-1-3-6-14)22-23-25(20)13-17-7-4-12-24(17)19/h1-3,5-6,8-11,17,19H,4,7,12-13H2/t17-,19-/m0/s1
InChIKey SEXJCNBJLKNZFG-HKUYNNGSSA-N
Literature Reference DOI 10.1039/c4ra03232b
Molecular Weight 350.853 g/mol
SMILES c1(c2[C@@](N3CCC[C@]3(C[n]2nn1)[H])(c1ccc(cc1)Cl)[H])-c1ccccc1
SPLASH splash10-00di-1319000000-35896e792a59bb32a0e5
Source of Spectrum RSA-4-26301/SMS11-2j
Wiley ID 1751436