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Ethyl 2-(phenethylaminomethyl)isovalerate

View entire compound with spectra: 1 FTIR

Ethyl 2-(phenethylaminomethyl)isovalerate
SpectraBase Compound ID 3nBtSNDAeJM
InChI InChI=1S/C16H25NO2/c1-4-19-16(18)15(13(2)3)12-17-11-10-14-8-6-5-7-9-14/h5-9,13,15,17H,4,10-12H2,1-3H3
InChIKey DAESBMWZLKUQPJ-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 HDn8ualFvub
Name Ethyl 2-(phenethylaminomethyl)isovalerate
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/c1-4-19-16(18)15(13(2)3)12-17-11-10-14-8-6-5-7-9-14/h5-9,13,15,17H,4,10-12H2,1-3H3
InChIKey DAESBMWZLKUQPJ-UHFFFAOYSA-N
Molecular Weight 263.381 g/mol
SMILES C1=C(C=CC=C1)CCNCC(C(C)C)C(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.88394