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(3'bR,4'aR)-3-(3',4',4'-Trimethyl-3'b,4',4'a,5'-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1'-yl)propionitrile
SpectraBase Compound ID GES4xoiQVsk
InChI InChI=1S/C13H17N3/c1-8-11-10(16(15-8)6-4-5-14)7-9-12(11)13(9,2)3/h9,12H,4,6-7H2,1-3H3/t9-,12+/m1/s1
InChIKey ZLFSRLUJTCAXNT-SKDRFNHKSA-N
Mol Weight 215.3 g/mol
Molecular Formula C13H17N3
Exact Mass 215.142248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYBsUxN2g4X
Name (3'bR,4'aR)-3-(3',4',4'-Trimethyl-3'b,4',4'a,5'-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1'-yl)propionitrile
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Formula C13H17N3
InChI InChI=1S/C13H17N3/c1-8-11-10(16(15-8)6-4-5-14)7-9-12(11)13(9,2)3/h9,12H,4,6-7H2,1-3H3/t9-,12+/m1/s1
InChIKey ZLFSRLUJTCAXNT-SKDRFNHKSA-N
Molecular Weight 215.300 g/mol
SMILES c12[C@]3(C(C)(C)[C@]3([H])Cc1[n](CCC#N)nc2C)[H]
SPLASH splash10-0zfs-2970000000-8a15c257b69e4a9277fc
Source of Spectrum QF-49-1445-0
Synonyms (3bR,4aR)-3-(3,4,4-Trimethyl-3b,4,4a,5-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)propiononitrile 3-(3',4',4'-Trimethyl-3'b,4',4'a,5'-tetrahydrocyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1'-yl)propionitrile 3-[(3bR,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]propanenitrile
Wiley ID 1547879