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(4S,8aS)-4-Butyl-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-Butyl-3-phenyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
SpectraBase Compound ID odSBGvmAgF
InChI InChI=1S/C18H24N4/c1-2-3-11-16-18-17(14-8-5-4-6-9-14)19-20-22(18)13-15-10-7-12-21(15)16/h4-6,8-9,15-16H,2-3,7,10-13H2,1H3/t15-,16-/m0/s1
InChIKey XGQSUGQHSDOHLB-HOTGVXAUSA-N
Mol Weight 296.42 g/mol
Molecular Formula C18H24N4
Exact Mass 296.200097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XvFqUL61nv
Name (4S,8aS)-4-Butyl-3-phenyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
Alternate Name(s) (4S,8aS)-4-butyl-3-phenyl-7,8,8a,9-tetrahydro-4H,6H-pyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N4
InChI InChI=1S/C18H24N4/c1-2-3-11-16-18-17(14-8-5-4-6-9-14)19-20-22(18)13-15-10-7-12-21(15)16/h4-6,8-9,15-16H,2-3,7,10-13H2,1H3/t15-,16-/m0/s1
InChIKey XGQSUGQHSDOHLB-HOTGVXAUSA-N
Molecular Weight 296.418 g/mol
SMILES [C@]12(C[n]3c([C@@](N2CCC1)(CCCC)[H])c(nn3)-c1ccccc1)[H]
SPLASH splash10-0002-0290000000-dac6ab26f3eb15294b45
Source of Spectrum AJO-5-257/SM12-8f
Wiley ID 1798815