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Isooxazole, 5-[methyl(phenyl)aminoethyinyl]-3-phenyl-4-t-butyl-aminocarbonyl-
SpectraBase Compound ID 21mNF7sB0vr
InChI InChI=1S/C23H23N3O2/c1-23(2,3)24-22(27)20-19(15-16-26(4)18-13-9-6-10-14-18)28-25-21(20)17-11-7-5-8-12-17/h5-14H,1-4H3,(H,24,27)
InChIKey ACNABZSFVGOSHR-UHFFFAOYSA-N
Mol Weight 373.46 g/mol
Molecular Formula C23H23N3O2
Exact Mass 373.179027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9xbjZzAlPOq
Name Isooxazole, 5-[methyl(phenyl)aminoethyinyl]-3-phenyl-4-T-butyl-aminocarbonyl-
Comments Computed using HOSE algorithm
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Exact Mass 373.179026991 u
Formula C23H23N3O2
InChI InChI=1S/C23H23N3O2/c1-23(2,3)24-22(27)20-19(15-16-26(4)18-13-9-6-10-14-18)28-25-21(20)17-11-7-5-8-12-17/h5-14H,1-4H3,(H,24,27)
InChIKey ACNABZSFVGOSHR-UHFFFAOYSA-N
Molecular Weight 373.456 g/mol
SMILES C1=CC=C(C=C1)N(C#CC=1ON=C(C2=CC=CC=C2)C1C(=O)NC(C)(C)C)C