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Ethyl 3-nitro-2-(2-oxo-2-phenylethyl)-5-phenylpentanoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Ethyl 3-nitro-2-(2-oxo-2-phenylethyl)-5-phenylpentanoate
SpectraBase Compound ID 32ii24CNAcp
InChI InChI=1S/C21H23NO5/c1-2-27-21(24)18(15-20(23)17-11-7-4-8-12-17)19(22(25)26)14-13-16-9-5-3-6-10-16/h3-12,18-19H,2,13-15H2,1H3
InChIKey AJXGIOICQHDYLF-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BZdi15YboGu
Name Ethyl 3-nitro-2-(2-oxo-2-phenylethyl)-5-phenylpentanoate
Comments Computed using HOSE algorithm
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Exact Mass 369.157622840 u
Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-2-27-21(24)18(15-20(23)17-11-7-4-8-12-17)19(22(25)26)14-13-16-9-5-3-6-10-16/h3-12,18-19H,2,13-15H2,1H3
InChIKey AJXGIOICQHDYLF-UHFFFAOYSA-N
Molecular Weight 369.417 g/mol
SMILES C(C(N(=O)=O)CCC1=CC=CC=C1)(CC(=O)C1=CC=CC=C1)C(=O)OCC