| SpectraBase Spectrum ID |
HyQDbMof9N5 |
| Name |
Butyrate <3-hydroxy-, ethyl-> |
| Source of Sample |
SAFC Cat.no. W342807 |
| CAS Registry Number |
5405-41-4 |
| 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 |
132.078644243 u |
| Formula |
C6H12O3 |
| InChI |
InChI=1S/C6H12O3/c1-3-9-6(8)4-5(2)7/h5,7H,3-4H2,1-2H3 |
| InChIKey |
OMSUIQOIVADKIM-UHFFFAOYSA-N |
| Molecular Weight |
132.159 g/mol |
| Number of Peaks |
50 |
| RI1 |
936 |
| RI2 |
613 |
| RI3 |
909 |
| RI4 |
865 |
| RI5 |
915 |
| SMILES |
OC(CC(=O)OCC)C |
| SPLASH |
splash10-01p7-9000000000-2eb68cfe76446b90a85e |
| 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, 3-hydroxy-, ethyl ester |
| Wiley ID |
LM_FFNSC3_82 |
