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(4S,8aS)-4-(4-methoxyphenyl)-3-phenyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
SpectraBase Compound ID 8e5WFKOWozD
InChI InChI=1S/C21H22N4O/c1-26-18-11-9-16(10-12-18)20-21-19(15-6-3-2-4-7-15)22-23-25(21)14-17-8-5-13-24(17)20/h2-4,6-7,9-12,17,20H,5,8,13-14H2,1H3/t17-,20-/m0/s1
InChIKey OEKLUDXPKFBXCM-PXNSSMCTSA-N
Mol Weight 346.43 g/mol
Molecular Formula C21H22N4O
Exact Mass 346.179361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nBI9iq8G
Name (4S,8aS)-4-(4-methoxyphenyl)-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 C21H22N4O
InChI InChI=1S/C21H22N4O/c1-26-18-11-9-16(10-12-18)20-21-19(15-6-3-2-4-7-15)22-23-25(21)14-17-8-5-13-24(17)20/h2-4,6-7,9-12,17,20H,5,8,13-14H2,1H3/t17-,20-/m0/s1
InChIKey OEKLUDXPKFBXCM-PXNSSMCTSA-N
Literature Reference DOI 10.1039/c4ra03232b
Molecular Weight 346.434 g/mol
SMILES c1(c2[C@@](N3[C@](C[n]2nn1)(CCC3)[H])(c1ccc(cc1)OC)[H])-c1ccccc1
SPLASH splash10-0a6s-1934000000-acef26ea0234aafb741b
Source of Spectrum RSA-4-26301/SMS10-2e
Wiley ID 1751432