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2,5-Di(methylamino)terephthalic acid 1-(3-azidopropyl)amide 4-[2-(N-tert-butyloxycarbonylamino)ethyl]amide
SpectraBase Compound ID 3VQZMCvSkFu
InChI InChI=1S/C20H32N8O4/c1-20(2,3)32-19(31)26-10-9-25-18(30)14-12-15(22-4)13(11-16(14)23-5)17(29)24-7-6-8-27-28-21/h11-12,22-23H,6-10H2,1-5H3,(H,24,29)(H,25,30)(H,26,31)
InChIKey XJMPAFKPODZZFG-UHFFFAOYSA-N
Mol Weight 448.5 g/mol
Molecular Formula C20H32N8O4
Exact Mass 448.254652 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqvyHen1X6p
Name 2,5-Di(methylamino)terephthalic acid 1-(3-azidopropyl)amide 4-[2-(N-tert-butyloxycarbonylamino)ethyl]amide
Appearance Yellow solid
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Exact Mass 448.254651538 u
Formula C20H32N8O4
InChI InChI=1S/C20H32N8O4/c1-20(2,3)32-19(31)26-10-9-25-18(30)14-12-15(22-4)13(11-16(14)23-5)17(29)24-7-6-8-27-28-21/h11-12,22-23H,6-10H2,1-5H3,(H,24,29)(H,25,30)(H,26,31)
InChIKey XJMPAFKPODZZFG-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201700774
Molecular Weight 448.528 g/mol
Quality 18
Reported Formula C20H32N8O4
SMILES N(C(C=1C=C(C(C(=O)NCCCN=[N+]=[N-])=CC1NC)NC)=O)CCNC(OC(C)(C)C)=O
SPLASH splash10-0002-0512900000-9a85fad34fab48bfea6b
Source of Spectrum QE-23-6541-13 (DOI: 10.1002/chem.201700774)
Thin-Layer Chromatography 0.24 (SiO2, EtOAc)
Wiley ID 1905463