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(2S)-2-Benzyloxycarbonylamino-3-hydroxypropionic acid 2-(2-methhyloxiranyl)ethyl ester
SpectraBase Compound ID Ha2Q7gfle2K
InChI InChI=1S/C16H21NO6/c1-16(11-23-16)7-8-21-14(19)13(9-18)17-15(20)22-10-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H,17,20)/t13-,16?/m0/s1
InChIKey IFADIVLDYHOEPB-KNVGNIICSA-N
Mol Weight 323.35 g/mol
Molecular Formula C16H21NO6
Exact Mass 323.136887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID eaTlnIzqxT
Name (2S)-2-Benzyloxycarbonylamino-3-hydroxypropionic acid 2-(2-methhyloxiranyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 323.136887394 u
Formula C16H21NO6
InChI InChI=1S/C16H21NO6/c1-16(11-23-16)7-8-21-14(19)13(9-18)17-15(20)22-10-12-5-3-2-4-6-12/h2-6,13,18H,7-11H2,1H3,(H,17,20)/t13-,16?/m0/s1
InChIKey IFADIVLDYHOEPB-KNVGNIICSA-N
Molecular Weight 323.345 g/mol
SMILES C1(OC1)(CCOC([C@@](NC(=O)OCC1=CC=CC=C1)(CO)[H])=O)C