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(4S,8aS)-3-phenyl-4-o-tolyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine

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(4S,8aS)-3-phenyl-4-o-tolyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
SpectraBase Compound ID 6KjHu7RJ7dM
InChI InChI=1S/C21H22N4/c1-15-8-5-6-12-18(15)20-21-19(16-9-3-2-4-10-16)22-23-25(21)14-17-11-7-13-24(17)20/h2-6,8-10,12,17,20H,7,11,13-14H2,1H3/t17-,20-/m0/s1
InChIKey ZMHRZGNEMNHDFN-PXNSSMCTSA-N
Mol Weight 330.44 g/mol
Molecular Formula C21H22N4
Exact Mass 330.184447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HhVDilFzM
Name (4S,8aS)-3-phenyl-4-o-tolyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N4
InChI InChI=1S/C21H22N4/c1-15-8-5-6-12-18(15)20-21-19(16-9-3-2-4-10-16)22-23-25(21)14-17-11-7-13-24(17)20/h2-6,8-10,12,17,20H,7,11,13-14H2,1H3/t17-,20-/m0/s1
InChIKey ZMHRZGNEMNHDFN-PXNSSMCTSA-N
Literature Reference DOI 10.1039/c4ra03232b
Molecular Weight 330.435 g/mol
SMILES c1(c2[C@@](N3CCC[C@]3(C[n]2nn1)[H])(c1c(cccc1)C)[H])-c1ccccc1
SPLASH splash10-0a7i-1923000000-91254e679d0c434fe636
Source of Spectrum RSA-4-26301/SMS10-2d
Synonyms (4S,8aS)-3-phenyl-4-(o-tolyl)-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
Wiley ID 1751431