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11-Ethyl 4-Methyl 2-(benzoylamino)-5-[(methoxycarbonyl)methyl]-terephthalate
SpectraBase Compound ID DGCj4kf7zJ1
InChI InChI=1S/C21H21NO7/c1-4-29-21(26)16-10-14(11-18(23)27-2)15(20(25)28-3)12-17(16)22-19(24)13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H,22,24)
InChIKey CRPAGXYCLHANNX-UHFFFAOYSA-N
Mol Weight 399.4 g/mol
Molecular Formula C21H21NO7
Exact Mass 399.131802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fq3I3Dizca2
Name 11-Ethyl 4-Methyl 2-(benzoylamino)-5-[(methoxycarbonyl)methyl]-terephthalate
Comments Less than 3 mono-isotopic peaks
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Formula C21H21NO7
InChI InChI=1S/C21H21NO7/c1-4-29-21(26)16-10-14(11-18(23)27-2)15(20(25)28-3)12-17(16)22-19(24)13-8-6-5-7-9-13/h5-10,12H,4,11H2,1-3H3,(H,22,24)
InChIKey CRPAGXYCLHANNX-UHFFFAOYSA-N
Molecular Weight 399.399 g/mol
SMILES N(c1c(cc(c(C(=O)OC)c1)CC(=O)OC)C(=O)OCC)C(=O)c1ccccc1
SPLASH splash10-0a4i-0901000000-3ca7ca057b5ff27f2063
Source of Spectrum Y2-71-676-4
Wiley ID 1587539