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

View entire compound with spectra: 1 MS (GC)

(4S,8aS)-3-phenyl-4-p-tolyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
SpectraBase Compound ID JDvhKQ6jLtc
InChI InChI=1S/C21H22N4/c1-15-9-11-17(12-10-15)20-21-19(16-6-3-2-4-7-16)22-23-25(21)14-18-8-5-13-24(18)20/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3/t18-,20-/m0/s1
InChIKey FBYOWYLFWQEJMA-ICSRJNTNSA-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 367PChIMW0j
Name (4S,8aS)-3-phenyl-4-p-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/c1-15-9-11-17(12-10-15)20-21-19(16-6-3-2-4-7-16)22-23-25(21)14-18-8-5-13-24(18)20/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3/t18-,20-/m0/s1
InChIKey FBYOWYLFWQEJMA-ICSRJNTNSA-N
Literature Reference DOI 10.1039/c4ra03232b
Molecular Weight 330.435 g/mol
SMILES c1(c2[C@@](N3CCC[C@]3(C[n]2nn1)[H])(c1ccc(cc1)C)[H])-c1ccccc1
SPLASH splash10-05q9-1985000000-283715e696621e4139d9
Source of Spectrum RSA-4-26301/SMS9-2b
Synonyms (4S,8aS)-3-phenyl-4-(p-tolyl)-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
Wiley ID 1751429