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(4S,8aS)-4-Hexyl-3-phenyl-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)-4-Hexyl-3-phenyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
SpectraBase Compound ID 2MeCMhkGGuf
InChI InChI=1S/C20H28N4/c1-2-3-4-8-13-18-20-19(16-10-6-5-7-11-16)21-22-24(20)15-17-12-9-14-23(17)18/h5-7,10-11,17-18H,2-4,8-9,12-15H2,1H3/t17-,18-/m0/s1
InChIKey OZOGYENTROLCDE-ROUUACIJSA-N
Mol Weight 324.47 g/mol
Molecular Formula C20H28N4
Exact Mass 324.231397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iq4IZGp5ty9
Name (4S,8aS)-4-Hexyl-3-phenyl-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 C20H28N4
InChI InChI=1S/C20H28N4/c1-2-3-4-8-13-18-20-19(16-10-6-5-7-11-16)21-22-24(20)15-17-12-9-14-23(17)18/h5-7,10-11,17-18H,2-4,8-9,12-15H2,1H3/t17-,18-/m0/s1
InChIKey OZOGYENTROLCDE-ROUUACIJSA-N
Literature Reference DOI 10.1002/ajoc.201500471
Molecular Weight 324.472 g/mol
SMILES [C@]12(C[n]3c([C@@](N2CCC1)(CCCCCC)[H])c(nn3)-c1ccccc1)[H]
SPLASH splash10-01b9-3397000000-f19ed51b3cd305e9f908
Source of Spectrum AJO-5-257/SM12-8g
Synonyms (4S,8aS)-4-hexyl-3-phenyl-7,8,8a,9-tetrahydro-4H,6H-pyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
Wiley ID 1798816