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(1aS,1bS,5aS)-5a-(E)-Hept-1-enyl-1a-methylhexahydro-4a-azacyclopropa[a]pentalen-4-one
SpectraBase Compound ID 2PlSCaBjytR
InChI InChI=1S/C16H25NO/c1-3-4-5-6-7-10-16-11-15(16,2)13-8-9-14(18)17(13)12-16/h7,10,13H,3-6,8-9,11-12H2,1-2H3/b10-7+/t13-,15+,16-/m0/s1
InChIKey XJYSVMBHZGPVSY-WCKKVKJMSA-N
Mol Weight 247.38 g/mol
Molecular Formula C16H25NO
Exact Mass 247.193614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hs3grbPcqZ5
Name (1aS,1bS,5aS)-5a-(E)-Hept-1-enyl-1a-methylhexahydro-4a-azacyclopropa[a]pentalen-4-one
Alternate Name(s) (1aS,6aS,6bS)-1a-[(1E)-1-heptenyl]-6b-methylhexahydrocyclopropa[c]pyrrolo[1,2-a]pyrrol-4(1H)-one 5a-(E)-Hept-1-enyl-1a-methylhexahydro-4a-azacyclopropa[a]pentalen-4-one
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Formula C16H25NO
InChI InChI=1S/C16H25NO/c1-3-4-5-6-7-10-16-11-15(16,2)13-8-9-14(18)17(13)12-16/h7,10,13H,3-6,8-9,11-12H2,1-2H3/b10-7+/t13-,15+,16-/m0/s1
InChIKey XJYSVMBHZGPVSY-WCKKVKJMSA-N
Molecular Weight 247.382 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC(N3C2)=O)[H])(C)C1)\C=C\CCCCC
SPLASH splash10-0007-9770000000-5e7945b2c8c0f17547bc
Source of Spectrum KC-0-1136-12
Wiley ID 830393