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Benzoic acid,4-nitro-,methyl ester
SpectraBase Compound ID 7uXLlM7TKMK
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3/i1D3
InChIKey YOJAHJGBFDPSDI-FIBGUPNXSA-N
Mol Weight 184.17 g/mol
Molecular Formula C8H4D3NO4
Exact Mass 184.056338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2GYX3XVkLN
Name Benzoic acid, 4-nitro-, methyl ester
Alternate Name(s) Methyl 4-nitrobenzoate 4-Nitrobenzoic acid methyl ester Benzoic acid, p-nitro-, methyl ester Methyl ester of 4-Nitrobenzoic acid Methyl p-nitrobenzoate Methyl para-nitrobenzoate Methyl-p-nitrobenzoate p-Carbomethoxynitrobenzene p-Nitrobenzoic acid methyl ester AI3-02241 EINECS 210-599-2 NSC 4137
CAS Registry Number 619-50-1
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Formula C8H4D3NO4
InChI InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3/i1D3
InChIKey YOJAHJGBFDPSDI-FIBGUPNXSA-N
Molecular Weight 184.165 g/mol
SMILES c1([N+]([O-])=O)ccc(C(OC([D])([D])[D])=O)cc1
SPLASH splash10-0udi-7900000000-b886120b2526a65039d3
Wiley ID 1473830