SpectraBase Spectrum ID |
BB45GagIZK3 |
Name |
n-Butyl aldehyde |
CAS Registry Number |
123-72-8 |
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 |
72.057514877 u |
Formula |
C4H8O |
InChI |
InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3 |
InChIKey |
ZTQSAGDEMFDKMZ-UHFFFAOYSA-N |
Molecular Weight |
72.107 g/mol |
Number of Peaks |
17 |
RI1 |
650 |
RI2 |
357 |
RI3 |
355 |
RI4 |
342 |
RI5 |
644 |
SMILES |
C(CCC)=O |
SPLASH |
splash10-0006-9000000000-53d314f210f72551429f |
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 |
Wiley ID |
LM_FFNSC3_3118 |