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N-benzoyl-N'-trifluoroacetyl-1,4-diaminobutane
SpectraBase Compound ID KmR9c8vte6K
InChI InChI=1S/C13H15F3N2O2/c14-13(15,16)12(20)18-9-5-4-8-17-11(19)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,19)(H,18,20)
InChIKey SDZSZUWDUQHIQK-UHFFFAOYSA-N
Mol Weight 288.27 g/mol
Molecular Formula C13H15F3N2O2
Exact Mass 288.108562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2z5GFEZIHo
Name N-benzoyl-N'-trifluoroacetyl-1,4-diaminobutane
Alternate Name(s) N-(4-(2,2,2-trifluoroacetamido)butyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F3N2O2
InChI InChI=1S/C13H15F3N2O2/c14-13(15,16)12(20)18-9-5-4-8-17-11(19)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,19)(H,18,20)
InChIKey SDZSZUWDUQHIQK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ijch.197800044
Molecular Weight 288.270 g/mol
SMILES N(CCCCNC(=O)C(F)(F)F)C(c1ccccc1)=O
SPLASH splash10-05mk-9800000000-7cfdd082dc75d63f04f1
Source of Spectrum TI-17-250-9a
Wiley ID 1806574