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4-Nitrobenzoic acid (2-keto-1-veratryl-propyl) ester
SpectraBase Compound ID 366oYTbFnZ6
InChI InChI=1S/C19H19NO7/c1-12(21)17(10-13-4-9-16(25-2)18(11-13)26-3)27-19(22)14-5-7-15(8-6-14)20(23)24/h4-9,11,17H,10H2,1-3H3
InChIKey AHRVJZLZUWGIGJ-UHFFFAOYSA-N
Mol Weight 373.36 g/mol
Molecular Formula C19H19NO7
Exact Mass 373.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZbyM2MOkPz
Name 4-Nitrobenzoic acid (2-keto-1-veratryl-propyl) ester
Alternate Name(s) 4-Nitrobenzoic acid [1-(3,4-dimethoxyphenyl)-3-oxobutan-2-yl] ester [1-(3,4-dimethoxyphenyl)-3-oxobutan-2-yl] 4-nitrobenzoate [1-[(3,4-dimethoxyphenyl)methyl]-2-oxo-propyl] 4-nitrobenzoate
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Formula C19H19NO7
InChI InChI=1S/C19H19NO7/c1-12(21)17(10-13-4-9-16(25-2)18(11-13)26-3)27-19(22)14-5-7-15(8-6-14)20(23)24/h4-9,11,17H,10H2,1-3H3
InChIKey AHRVJZLZUWGIGJ-UHFFFAOYSA-N
Molecular Weight 373.361 g/mol
SMILES c1(N(=O)=O)ccc(C(OC(C(=O)C)Cc2cc(OC)c(cc2)OC)=O)cc1
SPLASH splash10-0hb9-0900000000-a4850aebbae23d46262f
Source of Spectrum MZ-34-2727-10
Wiley ID 1582539