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[3-(4-chloro-6-tetradecylamino-[1,3,5]triazin-2-ylamino)-propyl]-carbamic acid tert-butyl ester
SpectraBase Compound ID Gtv5ZwyAHkC
InChI InChI=1S/C25H47ClN6O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-27-22-30-21(26)31-23(32-22)28-19-17-20-29-24(33)34-25(2,3)4/h5-20H2,1-4H3,(H,29,33)(H2,27,28,30,31,32)
InChIKey QCJKBBISXOHORH-UHFFFAOYSA-N
Mol Weight 499.1 g/mol
Molecular Formula C25H47ClN6O2
Exact Mass 498.344902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BnYnsZe4XwU
Name [3-(4-chloro-6-tetradecylamino-[1,3,5]triazin-2-ylamino)-propyl]-carbamic acid tert-butyl ester
Alternate Name(s) tert-Butyl (3-((4-chloro-6-(tetradecylamino)-1,3,5-triazin-2-yl)amino)propyl)carbamate N-[3-[[4-chloro-6-(tetradecylamino)-1,3,5-triazin-2-yl]amino]propyl]carbamic acid tert-butyl ester tert-Butyl N-[3-[[4-chloro-6-(tetradecylamino)-1,3,5-triazin-2-yl]amino]propyl]carbamate tert-Butyl N-[3-[[4-chloranyl-6-(tetradecylamino)-1,3,5-triazin-2-yl]amino]propyl]carbamate
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Formula C25H47ClN6O2
InChI InChI=1S/C25H47ClN6O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-27-22-30-21(26)31-23(32-22)28-19-17-20-29-24(33)34-25(2,3)4/h5-20H2,1-4H3,(H,29,33)(H2,27,28,30,31,32)
InChIKey QCJKBBISXOHORH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.200600267
Molecular Weight 499.144 g/mol
SMILES N(c1nc(nc(n1)Cl)NCCCCCCCCCCCCCC)CCCNC(OC(C)(C)C)=O
SPLASH splash10-0uxu-2117390000-cb40ee8404c569dfd07e
Source of Spectrum CMC-2-292/SM5-2
Wiley ID 1771463