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2-[4-[2-[(4-cyanobenzoyl)amino]acetyl]phenoxy]acetic acid methyl ester
SpectraBase Compound ID HykEkShJa2e
InChI InChI=1S/C19H16N2O5/c1-25-18(23)12-26-16-8-6-14(7-9-16)17(22)11-21-19(24)15-4-2-13(10-20)3-5-15/h2-9H,11-12H2,1H3,(H,21,24)
InChIKey JEQRMQWCXNODCV-UHFFFAOYSA-N
Mol Weight 352.35 g/mol
Molecular Formula C19H16N2O5
Exact Mass 352.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95GCUp4rIGP
Name 2-[4-[2-[(4-cyanobenzoyl)amino]acetyl]phenoxy]acetic acid methyl ester
Alternate Name(s) 2-[4-[2-[[(4-cyanophenyl)-oxomethyl]amino]-1-oxoethyl]phenoxy]acetic acid methyl ester methyl 2-[4-[2-[(4-cyanobenzoyl)amino]acetyl]phenoxy]acetate methyl 2-[4-[2-[(4-cyanophenyl)carbonylamino]ethanoyl]phenoxy]ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C19H16N2O5
InChI InChI=1S/C19H16N2O5/c1-25-18(23)12-26-16-8-6-14(7-9-16)17(22)11-21-19(24)15-4-2-13(10-20)3-5-15/h2-9H,11-12H2,1H3,(H,21,24)
InChIKey JEQRMQWCXNODCV-UHFFFAOYSA-N
Molecular Weight 352.346 g/mol
SMILES N(C(c1ccc(C#N)cc1)=O)CC(c1ccc(OCC(=O)OC)cc1)=O
SPLASH splash10-0006-0900000000-4e994bab41fe34cecb7b
Source of Spectrum E1-35-4403-13
Wiley ID 1574580