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1-Benzyl 4-Methyl 2-amino-5-[(t-butoxycaronyl)amino]-terephthalate
SpectraBase Compound ID GfIxdC3fdsV
InChI InChI=1S/C21H24N2O6/c1-21(2,3)29-20(26)23-17-11-14(16(22)10-15(17)18(24)27-4)19(25)28-12-13-8-6-5-7-9-13/h5-11H,12,22H2,1-4H3,(H,23,26)
InChIKey KJGRKKAICXENEM-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 K5IUw8C6DnT
Name 1-Benzyl 4-Methyl 2-amino-5-[(t-butoxycaronyl)amino]-terephthalate
Alternate Name(s) 2-Amino-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzene-1,4-dicarboxylic acid O4-methyl ester O1-(phenylmethyl) ester 1-O-benzyl 4-O-methyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzene-1,4-dicarboxylate O1-benzyl O4-methyl 2-amino-5-(tert-butoxycarbonylamino)benzene-1,4-dicarboxylate O4-methyl O1-(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(16(22)10-15(17)18(24)27-4)19(25)28-12-13-8-6-5-7-9-13/h5-11H,12,22H2,1-4H3,(H,23,26)
InChIKey KJGRKKAICXENEM-UHFFFAOYSA-N
Molecular Weight 400.431 g/mol
SMILES Nc1cc(c(cc1C(OCc1ccccc1)=O)NC(OC(C)(C)C)=O)C(=O)OC
SPLASH splash10-0udl-4139100000-dcf3ad404a6f3cd66ef7
Source of Spectrum QE-15-2204-3a
Wiley ID 1692691