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Methyl (Z)-hexadec-9-enoyl-2-aminobutyrate
SpectraBase Compound ID 5VN9BaNM09B
InChI InChI=1S/C21H39NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(5-2)21(24)25-3/h10-11,19H,4-9,12-18H2,1-3H3,(H,22,23)/b11-10-
InChIKey YRYSGQMHUIAXPV-KHPPLWFESA-N
Mol Weight 353.5 g/mol
Molecular Formula C21H39NO3
Exact Mass 353.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpfBlCTT6Bs
Name Methyl (Z)-hexadec-9-enoyl-2-aminobutyrate
Appearance Yellowish oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H39NO3
InChI InChI=1S/C21H39NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(5-2)21(24)25-3/h10-11,19H,4-9,12-18H2,1-3H3,(H,22,23)/b11-10-
InChIKey YRYSGQMHUIAXPV-KHPPLWFESA-N
Instrument Name HP6890-5973
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.276
Molecular Weight 353.547 g/mol
Reported Formula C21H39NO3
SMILES N(C(C(OC)=O)CC)C(CCCCCCC\C=C/CCCCCC)=O
SPLASH splash10-066r-9600000000-99887831ca2f561f121d
Source of Spectrum BJO-14-2968-J, 8, C16:1-NABME
Thin-Layer Chromatography Rf = 0.27 (Pentane/diethyl ether, 1.5:1)
Wiley ID 1845762