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(S,E)-Hept-4-en-3-yl-glycine methyl ester
SpectraBase Compound ID EkirSAK05Er
InChI InChI=1S/C10H19NO2/c1-4-6-7-9(5-2)11-8-10(12)13-3/h6-7,9,11H,4-5,8H2,1-3H3/b7-6+/t9-/m0/s1
InChIKey RZHKDKRBBOMEGK-UCUJLANTSA-N
Mol Weight 185.27 g/mol
Molecular Formula C10H19NO2
Exact Mass 185.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cWWeTOxr2I
Name (S,E)-Hept-4-en-3-yl-glycine methyl ester
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H19NO2
InChI InChI=1S/C10H19NO2/c1-4-6-7-9(5-2)11-8-10(12)13-3/h6-7,9,11H,4-5,8H2,1-3H3/b7-6+/t9-/m0/s1
InChIKey RZHKDKRBBOMEGK-UCUJLANTSA-N
Instrument Name Agilent 6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202000307
Molecular Weight 185.267 g/mol
Optical Rotation [a]D20 = -52.4 (436 nm), -32.2 (546 nm), -28.6 (579 nm), -27.6 (589 nm) (c = 0.939 g/100 ml, CHCl3)
SMILES N([C@](\C=C\CC)(CC)[H])CC(OC)=O
SPLASH splash10-0a4i-4900000000-359db9c740b97d79273e
Sample Comments er = 98:2
Source of Spectrum QE-26-SM10-(S)-3b
Thin-Layer Chromatography Rf = 0.16 (Silica, cHex/EtOAc, 2:1)
Wiley ID 1858588