| SpectraBase Spectrum ID |
EG86sTJobvR |
| Name |
Butyrate |
| CAS Registry Number |
623-42-7 |
| Classification |
Fatty esters; Fatty acid methyl esters |
| 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 |
102.068079560 u |
| Formula |
C5H10O2 |
| InChI |
InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3 |
| InChIKey |
UUIQMZJEGPQKFD-UHFFFAOYSA-N |
| Molecular Weight |
102.133 g/mol |
| Number of Peaks |
35 |
| RI1 |
706 |
| RI2 |
400 |
| RI4 |
717 |
| RI5 |
400 |
| SMILES |
C(CCC)(=O)OC |
| SPLASH |
splash10-00dl-9000000000-c25c3af97abb11957942 |
| Sample Comments |
RI1: measured on Equity-1 (Alkanes)
RI2: measured on Supelcowax-10 (FAMEs)
RI3: measured on Supelcowax-10 (FAEEs)
RI4: measured on SLB-5ms (Alkanes)
RI5: measured on SLB-5ms (FAMEs) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Butanoic acid, methyl ester
Me. C4:0 |
| Wiley ID |
LM_LIPIDS2016_35 |
