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(3S,3aS,6aR)-2-methyl-3-(4-nitrophenyl)-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
SpectraBase Compound ID L1Q3VmYAfnI
InChI InChI=1S/C18H15N3O5/c1-19-15(11-7-9-13(10-8-11)21(24)25)14-16(26-19)18(23)20(17(14)22)12-5-3-2-4-6-12/h2-10,14-16H,1H3/t14-,15+,16+/m0/s1
InChIKey XTKUJSJORUWFJY-ARFHVFGLSA-N
Mol Weight 353.33 g/mol
Molecular Formula C18H15N3O5
Exact Mass 353.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Iv4MwUzmbi
Name (3S,3aS,6aR)-2-methyl-3-(4-nitrophenyl)-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N3O5
InChI InChI=1S/C18H15N3O5/c1-19-15(11-7-9-13(10-8-11)21(24)25)14-16(26-19)18(23)20(17(14)22)12-5-3-2-4-6-12/h2-10,14-16H,1H3/t14-,15+,16+/m0/s1
InChIKey XTKUJSJORUWFJY-ARFHVFGLSA-N
Molecular Weight 353.334 g/mol
SMILES [C@@]12([C@@](C(=O)N(C2=O)c2ccccc2)([C@](c2ccc(N(=O)=O)cc2)([H])N(O1)C)[H])[H]
SPLASH splash10-0un9-0904000000-10a2a13e1873c6d0ca1f
Source of Spectrum AJ-41-745-0
Synonyms (3S,3aS,6aR)-2-methyl-3-(4-nitrophenyl)-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (3S,3aS,6aR)-2-methyl-3-(4-nitrophenyl)-5-phenyl-3a,6a-dihydro-3H-pyrrol[3,4-d]isoxazole-4,6-quinone
Wiley ID 1567656