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3-methyl-5-(4-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
SpectraBase Compound ID ctvS5fhDBh
InChI InChI=1S/C12H9N3O5/c1-6-9-10(20-13-6)12(17)14(11(9)16)7-2-4-8(5-3-7)15(18)19/h2-5,9-10H,1H3
InChIKey QUDVQNJHVNVHED-UHFFFAOYSA-N
Mol Weight 275.22 g/mol
Molecular Formula C12H9N3O5
Exact Mass 275.05422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ACf7C2pib2
Name 3-methyl-5-(4-nitrophenyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O5
InChI InChI=1S/C12H9N3O5/c1-6-9-10(20-13-6)12(17)14(11(9)16)7-2-4-8(5-3-7)15(18)19/h2-5,9-10H,1H3
InChIKey QUDVQNJHVNVHED-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 275.220 g/mol
Reported Formula C12H10N3O5
SMILES C=1(C2C(ON1)C(N(C2=O)c1ccc(cc1)[N+]([O-])=O)=O)C
SPLASH splash10-03gi-0930000000-4bf3bc294b1ba47c3689
Source of Spectrum CN110003235A
Wiley ID 1874892