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Methyl 2,4-dimethyl-(1-benzyl-1-ethylaminio)butanoate

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

Methyl 2,4-dimethyl-(1-benzyl-1-ethylaminio)butanoate
SpectraBase Compound ID K7w5uSBCi4d
InChI InChI=1S/C16H25NO2/c1-4-12-16(2,15(18)19-3)17-13-8-11-14-9-6-5-7-10-14/h5-7,9-10,17H,4,8,11-13H2,1-3H3
InChIKey NBYJOILRMYSIJL-UHFFFAOYSA-N
Mol Weight 263.38 g/mol
Molecular Formula C16H25NO2
Exact Mass 263.188529 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J0gXzTuoeX6
Name Methyl 2,4-dimethyl-(1-benzyl-1-ethylaminio)butanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.188529047 u
Formula C16H25NO2
InChI InChI=1S/C16H25NO2/c1-4-12-16(2,15(18)19-3)17-13-8-11-14-9-6-5-7-10-14/h5-7,9-10,17H,4,8,11-13H2,1-3H3
InChIKey NBYJOILRMYSIJL-UHFFFAOYSA-N
Molecular Weight 263.381 g/mol
SMILES C(C(NCCCC1=CC=CC=C1)(CCC)C)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935777