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l-Alanine, N-(3-fluorobenzoyl)-, heptadecyl ester
SpectraBase Compound ID GpLYB5mfWxR
InChI InChI=1S/C27H44FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-27(31)23(2)29-26(30)24-19-18-20-25(28)22-24/h18-20,22-23H,3-17,21H2,1-2H3,(H,29,30)
InChIKey ODIGYYILDBYXTR-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C27H44FNO3
Exact Mass 449.330522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kDymxba0aP
Name l-Alanine, N-(3-fluorobenzoyl)-, heptadecyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44FNO3
InChI InChI=1S/C27H44FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-27(31)23(2)29-26(30)24-19-18-20-25(28)22-24/h18-20,22-23H,3-17,21H2,1-2H3,(H,29,30)
InChIKey ODIGYYILDBYXTR-UHFFFAOYSA-N
Molecular Weight 449.651 g/mol
SMILES N(C(c1cc(ccc1)F)=O)C(C(OCCCCCCCCCCCCCCCCC)=O)C
SPLASH splash10-014i-2900000000-b9ae0fa314fce0f40bdd
Source of Spectrum NP-15-2834-0
Synonyms 2-[[(3-fluorophenyl)-oxomethyl]amino]propanoic acid heptadecyl ester Heptadecyl 2-[(3-fluorobenzoyl)amino]propanoate Heptadecyl 2-[(3-fluorophenyl)carbonylamino]propanoate
Wiley ID 1112398