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5-Butyl-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione-3-carboxylic acid butyl ester
SpectraBase Compound ID 8NTvaFST0BE
InChI InChI=1S/C14H20N2O5/c1-3-5-7-16-12(17)9-10(14(19)20-8-6-4-2)15-21-11(9)13(16)18/h9,11H,3-8H2,1-2H3
InChIKey GCUCDWHNUMGWTE-UHFFFAOYSA-N
Mol Weight 296.32 g/mol
Molecular Formula C14H20N2O5
Exact Mass 296.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwRjJreBUem
Name 5-Butyl-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione-3-carboxylic acid butyl ester
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Formula C14H20N2O5
InChI InChI=1S/C14H20N2O5/c1-3-5-7-16-12(17)9-10(14(19)20-8-6-4-2)15-21-11(9)13(16)18/h9,11H,3-8H2,1-2H3
InChIKey GCUCDWHNUMGWTE-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 296.323 g/mol
Reported Formula C14H20N2O5
SMILES C1(=NOC2C1C(N(C2=O)CCCC)=O)C(=O)OCCCC
SPLASH splash10-059i-3900000000-db30f6fdd236b29f7f83
Source of Spectrum CN107043387B
Wiley ID 1874790