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(S)-2-[N-(tert-Butoxycarbonyl)amino]-4-[adenin-9-yl]butyric Acid Methyl Ester
SpectraBase Compound ID G0a7Cjmq8Rl
InChI InChI=1S/C15H22N6O4/c1-15(2,3)25-14(23)20-9(13(22)24-4)5-6-21-8-19-10-11(16)17-7-18-12(10)21/h7-9H,5-6H2,1-4H3,(H,20,23)(H2,16,17,18)/t9-/m0/s1
InChIKey HXLBPKWSNYPGHU-VIFPVBQESA-N
Mol Weight 350.38 g/mol
Molecular Formula C15H22N6O4
Exact Mass 350.170253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bu3nFRKYBDD
Name (S)-2-[N-(tert-Butoxycarbonyl)amino]-4-[adenin-9-yl]butyric Acid Methyl Ester
Alternate Name(s) Methyl (2S)-4-(6-amino-9H-purin-9-yl)-2-[(tert-butoxycarbonyl)amino]butanoate (2S)-4-(6-aminopurin-9-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid methyl ester Methyl (2S)-4-(6-aminopurin-9-yl)-2-(tert-butoxycarbonylamino)butanoate Methyl (2S)-4-(6-aminopurin-9-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
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Formula C15H22N6O4
InChI InChI=1S/C15H22N6O4/c1-15(2,3)25-14(23)20-9(13(22)24-4)5-6-21-8-19-10-11(16)17-7-18-12(10)21/h7-9H,5-6H2,1-4H3,(H,20,23)(H2,16,17,18)/t9-/m0/s1
InChIKey HXLBPKWSNYPGHU-VIFPVBQESA-N
Molecular Weight 350.379 g/mol
SMILES Nc1c2c([n](CC[C@](NC(OC(C)(C)C)=O)(C(=O)OC)[H])cn2)ncn1
SPLASH splash10-0w2i-0692000000-3c44faeed939f176422a
Source of Spectrum J-62-5447-12
Wiley ID 1341701