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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FF6dCCh3GyS
Name Methyl 3-[4-(benzyloxy)butoyl]-2-[N-(tertbutoxycarbonyl)amido]propanoate
Comments Computed using HOSE algorithm
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Exact Mass 395.194402271 u
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 C(N[C@](C(=O)OC)(COC(=O)CCCOCC=1C=CC=CC1)[H])(OC(C)(C)C)=O