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2,2-[iminobis(methylene)]diisonicotinic acid dimethyl ester
SpectraBase Compound ID KFl6IhAWZy
InChI InChI=1S/C16H17N3O4/c1-22-15(20)11-3-5-18-13(7-11)9-17-10-14-8-12(4-6-19-14)16(21)23-2/h3-8,17H,9-10H2,1-2H3
InChIKey OVEDKRWPDMPHOI-UHFFFAOYSA-N
Mol Weight 315.33 g/mol
Molecular Formula C16H17N3O4
Exact Mass 315.121906 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Dc3bdrxlBq
Name 2,2-[iminobis(methylene)]diisonicotinic acid dimethyl ester
Appearance oil
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Formula C16H17N3O4
InChI InChI=1S/C16H17N3O4/c1-22-15(20)11-3-5-18-13(7-11)9-17-10-14-8-12(4-6-19-14)16(21)23-2/h3-8,17H,9-10H2,1-2H3
InChIKey OVEDKRWPDMPHOI-UHFFFAOYSA-N
Ionization Type EI
Reported Formula C16H17N3O4
SMILES N(Cc1nccc(c1)C(=O)OC)Cc1nccc(c1)C(OC)=O
SPLASH splash10-0uxr-0900000000-ffeee216e708a3c03f9b
Source of Spectrum US20200158735A1
Wiley ID 1877286