| SpectraBase Spectrum ID |
DJrG1RyxWHJ |
| Name |
Butyrate |
| Source of Sample |
SAFC Cat.no. W271926 |
| CAS Registry Number |
868-57-5 |
| 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 |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey |
OCWLYWIFNDCWRZ-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Number of Peaks |
49 |
| RI1 |
769 |
| RI2 |
434 |
| RI3 |
410 |
| RI4 |
380 |
| RI5 |
677 |
| SMILES |
C(C(CC)C)(=O)OC |
| SPLASH |
splash10-0a4r-9000000000-50732079baf0a6ee367a |
| 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 |
Butanoic acid, 2-methyl-, methyl ester |
| Wiley ID |
LM_FFNSC3_1635 |
