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Benzoic acid, 4-(4-nitrophenoxy)-, 3,4-dimethylphenyl ester

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

Benzoic acid, 4-(4-nitrophenoxy)-, 3,4-dimethylphenyl ester
SpectraBase Compound ID CTlRWdugoyj
InChI InChI=1S/C21H17NO5/c1-14-3-8-20(13-15(14)2)27-21(23)16-4-9-18(10-5-16)26-19-11-6-17(7-12-19)22(24)25/h3-13H,1-2H3
InChIKey AIFDUKAOZPFNSK-UHFFFAOYSA-N
Mol Weight 363.37 g/mol
Molecular Formula C21H17NO5
Exact Mass 363.110673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9A3LbXnKR5D
Name Benzoic acid, 4-(4-nitrophenoxy)-, 3,4-dimethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 363.110672646 u
Formula C21H17NO5
InChI InChI=1S/C21H17NO5/c1-14-3-8-20(13-15(14)2)27-21(23)16-4-9-18(10-5-16)26-19-11-6-17(7-12-19)22(24)25/h3-13H,1-2H3
InChIKey AIFDUKAOZPFNSK-UHFFFAOYSA-N
Molecular Weight 363.369 g/mol
SMILES CC1=C(C)C=C(OC(C2=CC=C(C=C2)OC2=CC=C(N(=O)=O)C=C2)=O)C=C1