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Benzoic acid, 3-methyl-6-(4-nitrobenzyloxy)-, methyl ester
SpectraBase Compound ID HFF4ZGWzoq2
InChI InChI=1S/C16H15NO5/c1-11-3-8-15(14(9-11)16(18)21-2)22-10-12-4-6-13(7-5-12)17(19)20/h3-9H,10H2,1-2H3
InChIKey SAMVJLLRPRYYKX-UHFFFAOYSA-N
Mol Weight 301.3 g/mol
Molecular Formula C16H15NO5
Exact Mass 301.095023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8byPTgKbJNb
Name Benzoic acid, 3-methyl-6-(4-nitrobenzyloxy)-, methyl ester
Alternate Name(s) 5-Methyl-2-(4-nitrobenzyl)oxy-benzoic acid methyl ester 5-Methyl-2-[(4-nitrophenyl)methoxy]benzoic acid methyl ester Methyl 5-methyl-2-[(4-nitrobenzyl)oxy]benzoate Methyl 5-methyl-2-[(4-nitrophenyl)methoxy]benzoate
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Formula C16H15NO5
InChI InChI=1S/C16H15NO5/c1-11-3-8-15(14(9-11)16(18)21-2)22-10-12-4-6-13(7-5-12)17(19)20/h3-9H,10H2,1-2H3
InChIKey SAMVJLLRPRYYKX-UHFFFAOYSA-N
Molecular Weight 301.298 g/mol
SMILES COC(c1c(OCc2ccc(N(=O)=O)cc2)ccc(C)c1)=O
SPLASH splash10-002r-9720000000-232591ac8c048eedd487
Source of Spectrum AD-0-2532-0
Wiley ID 1427994