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2-Methyl-3-[2'-(formylanilino)]pentanal

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

2-Methyl-3-[2'-(formylanilino)]pentanal
SpectraBase Compound ID 5R3NsCkQZ5G
InChI InChI=1S/C13H17NO2/c1-3-12(10(2)8-15)14-13-7-5-4-6-11(13)9-16/h4-10,12,14H,3H2,1-2H3
InChIKey QEGIFILREBMGLE-UHFFFAOYSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9tfko760LKU
Name 2-Methyl-3-[2'-(formylanilino)]pentanal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.125928789 u
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-3-12(10(2)8-15)14-13-7-5-4-6-11(13)9-16/h4-10,12,14H,3H2,1-2H3
InChIKey QEGIFILREBMGLE-UHFFFAOYSA-N
Molecular Weight 219.284 g/mol
SMILES C1(NC(C(C=O)C)CC)=C(C=O)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.834357