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5-Phenyl-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione-3-carboxylic acid butyl ester
SpectraBase Compound ID DiBnX2ZuP2L
InChI InChI=1S/C16H16N2O5/c1-2-3-9-22-16(21)12-11-13(23-17-12)15(20)18(14(11)19)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3
InChIKey UGVUTVLJIYCFRU-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C16H16N2O5
Exact Mass 316.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRxIZs4xhcv
Name 5-Phenyl-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione-3-carboxylic acid butyl ester
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Formula C16H16N2O5
InChI InChI=1S/C16H16N2O5/c1-2-3-9-22-16(21)12-11-13(23-17-12)15(20)18(14(11)19)10-7-5-4-6-8-10/h4-8,11,13H,2-3,9H2,1H3
InChIKey UGVUTVLJIYCFRU-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 316.313 g/mol
Reported Formula C16H26N2O5
SMILES C1(=NOC2C1C(N(C2=O)c1ccccc1)=O)C(=O)OCCCC
SPLASH splash10-014i-0900000000-4ba9e14b600e31c0d42c
Source of Spectrum CN107043387B
Wiley ID 1874786