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(4S,8aS)-3-Butyl-4-nonyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
SpectraBase Compound ID CE5tAT0qdDd
InChI InChI=1S/C21H38N4/c1-3-5-7-8-9-10-11-15-20-21-19(14-6-4-2)22-23-25(21)17-18-13-12-16-24(18)20/h18,20H,3-17H2,1-2H3/t18-,20-/m0/s1
InChIKey MYPCYELQSWAQEA-ICSRJNTNSA-N
Mol Weight 346.6 g/mol
Molecular Formula C21H38N4
Exact Mass 346.309647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXh3g1LFIkp
Name (4S,8aS)-3-Butyl-4-nonyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
Alternate Name(s) (4S,8aS)-3-butyl-4-nonyl-7,8,8a,9-tetrahydro-4H,6H-pyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
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Formula C21H38N4
InChI InChI=1S/C21H38N4/c1-3-5-7-8-9-10-11-15-20-21-19(14-6-4-2)22-23-25(21)17-18-13-12-16-24(18)20/h18,20H,3-17H2,1-2H3/t18-,20-/m0/s1
InChIKey MYPCYELQSWAQEA-ICSRJNTNSA-N
Literature Reference DOI 10.1002/ajoc.201500471
Molecular Weight 346.563 g/mol
SMILES [C@]12(C[n]3c([C@@](N2CCC1)(CCCCCCCCC)[H])c(nn3)CCCC)[H]
SPLASH splash10-052r-0911000000-1fe0a6347a21395f5d2b
Source of Spectrum AJO-5-257/SM14-8m
Wiley ID 1798820