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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAcLMSC8Y4k
Name Benzoic acid, 4-(4-nitrophenoxy)-, 3,4-dimethylphenyl ester
Alternate Name(s) (3,4-dimethylphenyl) 4-(4-nitrophenoxy)benzoate 4-(4-nitrophenoxy)benzoic acid (3,4-dimethylphenyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 Cc1ccc(OC(c2ccc(Oc3ccc(N(=O)=O)cc3)cc2)=O)cc1C
SPLASH splash10-002f-9200000000-315d957abf1045e86904
Wiley ID 1439986