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1-Benzyl 4-Methyl 5-amino-2-[(t-butoxycaronyl)amino]-terephthalate
SpectraBase Compound ID DVrkuYmWsD4
InChI InChI=1S/C21H24N2O6/c1-21(2,3)29-20(26)23-17-11-14(18(24)27-4)16(22)10-15(17)19(25)28-12-13-8-6-5-7-9-13/h5-11H,12,22H2,1-4H3,(H,23,26)
InChIKey CUXYSFDDHIQZLL-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C21H24N2O6
Exact Mass 400.163436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HbpSiVDhTkf
Name 1-Benzyl 4-Methyl 5-amino-2-[(t-butoxycaronyl)amino]-terephthalate
Alternate Name(s) 2-Amino-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzene-1,4-dicarboxylic acid O1-methyl ester O4-(phenylmethyl) ester 4-O-benzyl 1-O-methyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzene-1,4-dicarboxylate O4-benzyl O1-methyl 2-amino-5-(tert-butoxycarbonylamino)benzene-1,4-dicarboxylate O1-methyl O4-(phenylmethyl) 2-azanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzene-1,4-dicarboxylate
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Formula C21H24N2O6
InChI InChI=1S/C21H24N2O6/c1-21(2,3)29-20(26)23-17-11-14(18(24)27-4)16(22)10-15(17)19(25)28-12-13-8-6-5-7-9-13/h5-11H,12,22H2,1-4H3,(H,23,26)
InChIKey CUXYSFDDHIQZLL-UHFFFAOYSA-N
Molecular Weight 400.431 g/mol
SMILES Nc1cc(c(cc1C(=O)OC)NC(OC(C)(C)C)=O)C(OCc1ccccc1)=O
SPLASH splash10-0f6x-7219100000-e9cb92a01c9826e451fa
Source of Spectrum QE-15-2204-3b
Wiley ID 1692690