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(S)-tert-Butyl 2-((R,E)-hept-4-en-3-ylamino)-4-methylpentanoate
SpectraBase Compound ID LA42SEpcTIi
InChI InChI=1S/C17H33NO2/c1-8-10-11-14(9-2)18-15(12-13(3)4)16(19)20-17(5,6)7/h10-11,13-15,18H,8-9,12H2,1-7H3/b11-10+/t14-,15+/m1/s1
InChIKey UJJWLAHLFVLWJS-UNNWNWIUSA-N
Mol Weight 283.5 g/mol
Molecular Formula C17H33NO2
Exact Mass 283.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AszfyQKjZQo
Name (S)-tert-Butyl 2-((R,E)-hept-4-en-3-ylamino)-4-methylpentanoate
Appearance Yellow oil
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Formula C17H33NO2
InChI InChI=1S/C17H33NO2/c1-8-10-11-14(9-2)18-15(12-13(3)4)16(19)20-17(5,6)7/h10-11,13-15,18H,8-9,12H2,1-7H3/b11-10+/t14-,15+/m1/s1
InChIKey UJJWLAHLFVLWJS-UNNWNWIUSA-N
Instrument Name Agilent 6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202000307
Molecular Weight 283.456 g/mol
Optical Rotation [a]D20 = -27.9 (365 nm), -19.2 (436 nm), -11.5 (546 nm), -10.3 (579 nm), -10.2 (589 nm) (c = 0.520 g/100 ml, CHCl3)
SMILES N([C@@](\C=C\CC)(CC)[H])[C@@](CC(C)C)(C(=O)OC(C)(C)C)[H]
SPLASH splash10-001s-9700000000-49173a9afb354c062cf6
Sample Comments dr > 99:1
Source of Spectrum QE-26-SM18-(R,S)-4g
Thin-Layer Chromatography Rf = 0.21 (Silica, cHex/EtOAc, 18:1)
Wiley ID 1858585