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(S)-Methyl 2-((S,E)-hept-4-en-3-ylamino)-3-hydroxypropanoate
SpectraBase Compound ID KreUuW23gKd
InChI InChI=1S/C11H21NO3/c1-4-6-7-9(5-2)12-10(8-13)11(14)15-3/h6-7,9-10,12-13H,4-5,8H2,1-3H3/b7-6+/t9-,10-/m0/s1
InChIKey NTJJDHKNTJJBCW-CAFLDADYSA-N
Mol Weight 215.29 g/mol
Molecular Formula C11H21NO3
Exact Mass 215.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CRpBPZzlXEZ
Name (S)-Methyl 2-((S,E)-hept-4-en-3-ylamino)-3-hydroxypropanoate
Appearance Yellow oil
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Formula C11H21NO3
InChI InChI=1S/C11H21NO3/c1-4-6-7-9(5-2)12-10(8-13)11(14)15-3/h6-7,9-10,12-13H,4-5,8H2,1-3H3/b7-6+/t9-,10-/m0/s1
InChIKey NTJJDHKNTJJBCW-CAFLDADYSA-N
Instrument Name Agilent 6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202000307
Molecular Weight 215.293 g/mol
Optical Rotation [a]D20 = -243.7 (365 nm), -160.0 (436 nm), -96.0 (546 nm), -84.8 (579 nm), -81.8 (589 nm) (c = 0.510 g/100 ml, CHCl3)
SMILES N([C@](\C=C\CC)(CC)[H])[C@@](CO)(C(=O)OC)[H]
SPLASH splash10-052r-9700000000-8f9800ee8f79add1b9e4
Sample Comments dr = 97:3
Source of Spectrum QE-26-SM16-(S,S)-3f
Thin-Layer Chromatography Rf = 0.13 (Silica, CH2Cl2/EtOAc, 1:1)
Wiley ID 1858597