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5-(4-Chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione-3-carboxylic acid butyl ester
SpectraBase Compound ID 84ByiVvmkPF
InChI InChI=1S/C16H15ClN2O5/c1-2-3-8-23-16(22)12-11-13(24-18-12)15(21)19(14(11)20)10-6-4-9(17)5-7-10/h4-7,11,13H,2-3,8H2,1H3
InChIKey DUBFTSVQGHNGCH-UHFFFAOYSA-N
Mol Weight 350.76 g/mol
Molecular Formula C16H15ClN2O5
Exact Mass 350.066949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bh72syKlmde
Name 5-(4-Chlorophenyl)-3a,6a-dihydropyrrolo[3,4-d]isoxazole-4,6-dione-3-carboxylic acid butyl ester
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Formula C16H15ClN2O5
InChI InChI=1S/C16H15ClN2O5/c1-2-3-8-23-16(22)12-11-13(24-18-12)15(21)19(14(11)20)10-6-4-9(17)5-7-10/h4-7,11,13H,2-3,8H2,1H3
InChIKey DUBFTSVQGHNGCH-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 350.758 g/mol
Reported Formula C16H15N2O5Cl
SMILES C1(=NOC2C1C(N(C2=O)c1ccc(cc1)Cl)=O)C(=O)OCCCC
SPLASH splash10-0ue9-0960000000-cf1997b4a9c21cf0cbac
Source of Spectrum CN107043387B
Wiley ID 1874792