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(3R)-3-(benzyloxycarbonylamino)-4-ethyl-hexanoic acid methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(3R)-3-(benzyloxycarbonylamino)-4-ethyl-hexanoic acid methyl ester
SpectraBase Compound ID VigSqyRPM2
InChI InChI=1S/C17H25NO4/c1-4-14(5-2)15(11-16(19)21-3)18-17(20)22-12-13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKey SVFHESBSVDAMTH-OAHLLOKOSA-N
Mol Weight 307.39 g/mol
Molecular Formula C17H25NO4
Exact Mass 307.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7wWOzoTRoq
Name (3R)-3-(Benzyloxycarbonylamino)-4-ethyl-hexanoic acid methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 307.178358285 u
Formula C17H25NO4
InChI InChI=1S/C17H25NO4/c1-4-14(5-2)15(11-16(19)21-3)18-17(20)22-12-13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKey SVFHESBSVDAMTH-OAHLLOKOSA-N
Molecular Weight 307.390 g/mol
SMILES C(N[C@](CC(=O)OC)(C(CC)CC)[H])(=O)OCC1=CC=CC=C1