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4-(4-Methyl-2,6,7-trioxabocyclo[2.2.2]octyl)-cyclopenteno[d].delta.(2)-isoxazoline

View entire compound with spectra: 1 MS (GC)

4-(4-Methyl-2,6,7-trioxabocyclo[2.2.2]octyl)-cyclopenteno[d].delta.(2)-isoxazoline
SpectraBase Compound ID kB9vkG9l9u
InChI InChI=1S/C12H17NO4/c1-11-5-14-12(15-6-11,16-7-11)10-8-3-2-4-9(8)17-13-10/h8-9H,2-7H2,1H3/t8-,9+,11-,12?/m1/s1
InChIKey VCORZUUGTOOTOF-RVJXMIQCSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cMKXdcemsG
Name 4-(4-Methyl-2,6,7-trioxabocyclo[2.2.2]octyl)-cyclopenteno[d].delta.(2)-isoxazoline
Alternate Name(s) (3aS,6aS)-3-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole (3aS,6aS)-3-(1-methyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
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Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-11-5-14-12(15-6-11,16-7-11)10-8-3-2-4-9(8)17-13-10/h8-9H,2-7H2,1H3/t8-,9+,11-,12?/m1/s1
InChIKey VCORZUUGTOOTOF-RVJXMIQCSA-N
Molecular Weight 239.271 g/mol
SMILES C1(C23OCC(CO3)(C)CO2)=NO[C@@]2([C@]1(CCC2)[H])[H]
SPLASH splash10-000i-3910000000-20988c3755764ec2c07a
Source of Spectrum AT-40-7958-0
Wiley ID 854712