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Methyl N-hexadecanoyl-2-aminobutyrate
SpectraBase Compound ID Cpm2c5wfGSy
InChI InChI=1S/C21H41NO3.C19H37NO3/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;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23-2/h19H,4-18H2,1-3H3,(H,22,23);3-17H2,1-2H3,(H,20,21)
InChIKey ZFMUIIHMAGMSEI-UHFFFAOYSA-N
Mol Weight 683.1 g/mol
Molecular Formula C40H78N2O6
Exact Mass 682.585988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANeAhpq5gH4
Name Methyl N-hexadecanoyl-2-aminobutyrate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H78N2O6
InChI InChI=1S/C21H41NO3.C19H37NO3/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;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(22)23-2/h19H,4-18H2,1-3H3,(H,22,23);3-17H2,1-2H3,(H,20,21)
InChIKey ZFMUIIHMAGMSEI-UHFFFAOYSA-N
Instrument Name HP6890-5973
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.276
Molecular Weight 683.072 g/mol
Reported Formula C21H41NO3
SMILES N(C(C(OC)=O)CC)C(CCCCCCCCCCCCCCC)=O.N(CC(OC)=O)C(CCCCCCCCCCCCCCC)=O
SPLASH splash10-0a4i-9610000000-7bc02a020d130ed97bb0
Source of Spectrum BJO-14-2968-K, 7, C16:0-NABME
Thin-Layer Chromatography Rf = 0.28 (Pentane/diethyl ether, 1:1)
Wiley ID 1845763