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N-benzoyl-N'-trifluoroacetyl-1,4-diaminobutane

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6UqN63iv3VN
Name N-Benzoyl-N'-trifluoroacetyl-1,4-diaminobutane
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 288.108562218 u
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
Molecular Weight 288.270 g/mol
SMILES C(CCCNC(C=1C=CC=CC1)=O)NC(=O)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.841469