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diethyl 2-acetamido-5-[(tert-butoxycarbonyl)amino]terephthalate
SpectraBase Compound ID DgtIDFDR2Gt
InChI InChI=1S/C19H26N2O7/c1-7-26-16(23)12-10-15(21-18(25)28-19(4,5)6)13(17(24)27-8-2)9-14(12)20-11(3)22/h9-10H,7-8H2,1-6H3,(H,20,22)(H,21,25)
InChIKey KXIVSOFGDIESAB-UHFFFAOYSA-N
Mol Weight 394.42 g/mol
Molecular Formula C19H26N2O7
Exact Mass 394.174001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19xkXtVgrg
Name diethyl 2-acetamido-5-[(tert-butoxycarbonyl)amino]terephthalate
Appearance Pale yellow solid
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Formula C19H26N2O7
InChI InChI=1S/C19H26N2O7/c1-7-26-16(23)12-10-15(21-18(25)28-19(4,5)6)13(17(24)27-8-2)9-14(12)20-11(3)22/h9-10H,7-8H2,1-6H3,(H,20,22)(H,21,25)
InChIKey KXIVSOFGDIESAB-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/open.201900138
Molecular Weight 394.424 g/mol
Reported Formula C19H26N2O7
SMILES N(c1cc(c(cc1C(=O)OCC)NC(C)=O)C(OCC)=O)C(=O)OC(C)(C)C
SPLASH splash10-0k96-3191000000-18a68d64c275280aad83
Source of Spectrum CHO-8-SM2-6
Thin-Layer Chromatography Rf = 0.26 (SiO2, hexanes/EtOAc, 5:1)
Wiley ID 1837108