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Octanoic acid, 2-[(trifluoroacetyl)amino]-, propyl ester, (S)-
SpectraBase Compound ID 3QUXKnZEhw1
InChI InChI=1S/C13H22F3NO3/c1-3-5-6-7-8-10(11(18)20-9-4-2)17-12(19)13(14,15)16/h10H,3-9H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKey OZZHTVVCJPPLCX-JTQLQIEISA-N
Mol Weight 297.32 g/mol
Molecular Formula C13H22F3NO3
Exact Mass 297.155178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B5SCNCUr3hf
Name Octanoic acid, 2-[(trifluoroacetyl)amino]-, propyl ester, (S)-
CAS Registry Number 119816-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22F3NO3
InChI InChI=1S/C13H22F3NO3/c1-3-5-6-7-8-10(11(18)20-9-4-2)17-12(19)13(14,15)16/h10H,3-9H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKey OZZHTVVCJPPLCX-JTQLQIEISA-N
Molecular Weight 297.318 g/mol
SMILES N(C(C(F)(F)F)=O)[C@](C(=O)OCCC)(CCCCCC)[H]
SPLASH splash10-0bta-9320000000-d501f6ba1c866d95c0bb
Source of Spectrum F-44-5550-0
Synonyms n-propyl (2S)-2-trifluoracetamidooctanoate Propyl (2S)-2-[(trifluoroacetyl)amino]octanoate
Wiley ID 1299973