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2-(beta-Cyanoethyl)-2-ethylhexanal

View entire compound with spectra: 2 FTIR, and 1 Raman

2-(beta-Cyanoethyl)-2-ethylhexanal
SpectraBase Compound ID E0sWZnnCdsQ
InChI InChI=1S/C11H19NO/c1-3-5-7-11(4-2,10-13)8-6-9-12/h10H,3-8H2,1-2H3
InChIKey KBJKNUWIYZFLGT-UHFFFAOYSA-N
Mol Weight 181.28 g/mol
Molecular Formula C11H19NO
Exact Mass 181.146664 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 63CuiiBlh71
Name 2-(beta-Cyanoethyl)-2-ethylhexanal; glutaraldehydonitrile, 4-butyl-4-ethyl-; octanenitrile, 4-ethyl-4-formyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 181.146664235 u
Formula C11H19NO
InChI InChI=1S/C11H19NO/c1-3-5-7-11(4-2,10-13)8-6-9-12/h10H,3-8H2,1-2H3
InChIKey KBJKNUWIYZFLGT-UHFFFAOYSA-N
Molecular Weight 181.279 g/mol
SMILES CCCCC(CCC#N)(C=O)CC
Spectrum/Structure Validation Score (Raman) 0.981295