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4-spiro[4H-1,2-oxazole-5,7'-bicyclo[4.1.0]heptane]-3-ylbutan-2-one
SpectraBase Compound ID 1wQlq1RXmGN
InChI InChI=1S/C13H19NO2/c1-9(15)6-7-10-8-13(16-14-10)11-4-2-3-5-12(11)13/h11-12H,2-8H2,1H3
InChIKey VWISKLICXGATCF-UHFFFAOYSA-N
Mol Weight 221.3 g/mol
Molecular Formula C13H19NO2
Exact Mass 221.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEikaZcyV1j
Name 3-(3-Oxobutyl)spiro[bicyclo[4.1.0]heptane-7,5'-(4'H)-isoxazole]
Alternate Name(s) 4-{3'H-spiro[bicyclo[4.1.0]heptane-7,2'-[1,5]oxazole]-3-yl}butan-2-one 4-(3-spiro[4H-isoxazole-5,7'-bicyclo[4.1.0]heptane]yl)-2-butanone 4-spiro[4H-isoxazole-5,7'-norcarane]-3-ylbutan-2-one 4-spiro[4H-1,2-oxazole-5,7'-bicyclo[4.1.0]heptane]-3-ylbutan-2-one
CAS Registry Number 141346-03-4
Comments Less than 3 mono-isotopic peaks
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Formula C13H19NO2
InChI InChI=1S/C13H19NO2/c1-9(15)6-7-10-8-13(16-14-10)11-4-2-3-5-12(11)13/h11-12H,2-8H2,1H3
InChIKey VWISKLICXGATCF-UHFFFAOYSA-N
Molecular Weight 221.300 g/mol
SMILES C12(C3CCCCC23)ON=C(C1)CCC(=O)C
SPLASH splash10-0006-9010000000-34f6e58c0913e6e34a2d
Source of Spectrum J-57-4209-4
Wiley ID 1221429