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(3S,3aS,6aR)-3-(4-chlorophenyl)-2,5-dimethyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione

View entire compound with spectra: 1 MS (GC)

(3S,3aS,6aR)-3-(4-chlorophenyl)-2,5-dimethyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
SpectraBase Compound ID 229otOuwP9W
InChI InChI=1S/C13H13ClN2O3/c1-15-12(17)9-10(7-3-5-8(14)6-4-7)16(2)19-11(9)13(15)18/h3-6,9-11H,1-2H3/t9-,10+,11+/m0/s1
InChIKey CIESLWMOJUDTLG-HBNTYKKESA-N
Mol Weight 280.71 g/mol
Molecular Formula C13H13ClN2O3
Exact Mass 280.06147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID S4zLN4zpww
Name (3S,3aS,6aR)-3-(4-chlorophenyl)-2,5-dimethyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClN2O3
InChI InChI=1S/C13H13ClN2O3/c1-15-12(17)9-10(7-3-5-8(14)6-4-7)16(2)19-11(9)13(15)18/h3-6,9-11H,1-2H3/t9-,10+,11+/m0/s1
InChIKey CIESLWMOJUDTLG-HBNTYKKESA-N
Molecular Weight 280.711 g/mol
SMILES [C@@]12([C@@](C(=O)N(C2=O)C)([C@](c2ccc(cc2)Cl)([H])N(O1)C)[H])[H]
SPLASH splash10-0159-0950000000-0103760f2f4776cf6720
Source of Spectrum AJ-41-745-0
Synonyms (3S,3aS,6aR)-3-(4-chlorophenyl)-2,5-dimethyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione (3S,3aS,6aR)-3-(4-chlorophenyl)-2,5-dimethyl-3a,6a-dihydro-3H-pyrrol[3,4-d]isoxazole-4,6-quinone
Wiley ID 1567650