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(4R,8aS)-3-phenyl-4-(thiophen-2-yl)-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
SpectraBase Compound ID FNdXI8jpNYO
InChI InChI=1S/C18H18N4S/c1-2-6-13(7-3-1)16-18-17(15-9-5-11-23-15)21-10-4-8-14(21)12-22(18)20-19-16/h1-3,5-7,9,11,14,17H,4,8,10,12H2/t14-,17-/m0/s1
InChIKey OLJDMNPNHJYBMO-YOEHRIQHSA-N
Mol Weight 322.43 g/mol
Molecular Formula C18H18N4S
Exact Mass 322.125218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4brgJ53eHud
Name (4R,8aS)-3-phenyl-4-(thiophen-2-yl)-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
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Formula C18H18N4S
InChI InChI=1S/C18H18N4S/c1-2-6-13(7-3-1)16-18-17(15-9-5-11-23-15)21-10-4-8-14(21)12-22(18)20-19-16/h1-3,5-7,9,11,14,17H,4,8,10,12H2/t14-,17-/m0/s1
InChIKey OLJDMNPNHJYBMO-YOEHRIQHSA-N
Literature Reference DOI 10.1039/c4ra03232b
Molecular Weight 322.430 g/mol
SMILES c1(-c2ccccc2)c2[C@](c3cccs3)(N3CCC[C@@]3([H])C[n]2nn1)[H]
SPLASH splash10-00kp-0490000000-01219ef452a20d1c72cf
Source of Spectrum RSA-4-26301/SMS14-2t
Wiley ID 1751446