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2H-Pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 5-(4-bromophenyl)-3-(1-ethylpentyl)dihydro-2-phenyl-
SpectraBase Compound ID KBKQPTnEemR
InChI InChI=1S/C24H27BrN2O3/c1-3-5-9-16(4-2)21-20-22(30-27(21)19-10-7-6-8-11-19)24(29)26(23(20)28)18-14-12-17(25)13-15-18/h6-8,10-16,20-22H,3-5,9H2,1-2H3
InChIKey TUOGVVHZFULDKU-UHFFFAOYSA-N
Mol Weight 471.4 g/mol
Molecular Formula C24H27BrN2O3
Exact Mass 470.120506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVOs3W8LeY8
Name 2H-Pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione, 5-(4-bromophenyl)-3-(1-ethylpentyl)dihydro-2-phenyl-
Alternate Name(s) 5-(4-bromophenyl)-3-heptan-3-yl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione 5-(4-bromophenyl)-3-(1-ethylpentyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione 5-(4-bromophenyl)-3-heptan-3-yl-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
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Formula C24H27BrN2O3
InChI InChI=1S/C24H27BrN2O3/c1-3-5-9-16(4-2)21-20-22(30-27(21)19-10-7-6-8-11-19)24(29)26(23(20)28)18-14-12-17(25)13-15-18/h6-8,10-16,20-22H,3-5,9H2,1-2H3
InChIKey TUOGVVHZFULDKU-UHFFFAOYSA-N
Molecular Weight 471.395 g/mol
SMILES C12C(C(=O)N(C2=O)c2ccc(cc2)Br)C(C(CC)CCCC)N(O1)c1ccccc1
SPLASH splash10-0fi1-9702100000-70b204c53bb168c29229
Source of Spectrum IY-1-4674-2
Wiley ID 1654725