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Methyl 3-[4-(Benzyloxy)butoyl]-2-[N-(tertbutoxycarbonyl)amido]propanoate
SpectraBase Compound ID HQDWbHujngr
InChI InChI=1S/C20H29NO7/c1-20(2,3)28-19(24)21-16(18(23)25-4)14-27-17(22)11-8-12-26-13-15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14H2,1-4H3,(H,21,24)/t16-/m0/s1
InChIKey UHXBISOWWPDFMU-INIZCTEOSA-N
Mol Weight 395.45 g/mol
Molecular Formula C20H29NO7
Exact Mass 395.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4r3iCwxLFqQ
Name Methyl 3-[4-(Benzyloxy)butoyl]-2-[N-(tertbutoxycarbonyl)amido]propanoate
Alternate Name(s) 4-phenylmethoxybutanoic acid [(2S)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxopropyl] ester [(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl] 4-phenylmethoxybutanoate [(2S)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-propyl] 4-benzyloxybutanoate [(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-propyl] 4-phenylmethoxybutanoate
Comments Less than 3 mono-isotopic peaks
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Formula C20H29NO7
InChI InChI=1S/C20H29NO7/c1-20(2,3)28-19(24)21-16(18(23)25-4)14-27-17(22)11-8-12-26-13-15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14H2,1-4H3,(H,21,24)/t16-/m0/s1
InChIKey UHXBISOWWPDFMU-INIZCTEOSA-N
Molecular Weight 395.452 g/mol
SMILES N([C@](C(=O)OC)(COC(=O)CCCOCc1ccccc1)[H])C(OC(C)(C)C)=O
SPLASH splash10-0006-9001000000-e36e72c887faf8cb1c59
Source of Spectrum AT-41-9526-21
Wiley ID 854943