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Butanal, 2-ethyl-
SpectraBase Compound ID E7wYwJhsp2a
InChI InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
InChIKey UNNGUFMVYQJGTD-UHFFFAOYSA-N
Mol Weight 100.16 g/mol
Molecular Formula C6H12O
Exact Mass 100.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hq0bGjBQFwH
Name Butyraldehyde <2-ethyl->
Source of Sample SAFC Cat.no. 110094
CAS Registry Number 97-96-1
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 100.088815005 u
Formula C6H12O
InChI InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3
InChIKey UNNGUFMVYQJGTD-UHFFFAOYSA-N
Molecular Weight 100.161 g/mol
Number of Peaks 50
RI1 745
RI2 419
RI3 411
RI4 380
RI5 738
SMILES CCC(C=O)CC
SPLASH splash10-0006-9000000000-ca7fe7beac8eb2effdd7
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Butanal, 2-ethyl-
Wiley ID LM_FFNSC3_1623