| SpectraBase Spectrum ID |
G8qQ79iQ0OI |
| Name |
Butanoate |
| Source of Sample |
SAFC Cat.no. W202118 |
| CAS Registry Number |
2051-78-7 |
| 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 |
128.083729624 u |
| Formula |
C7H12O2 |
| InChI |
InChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3 |
| InChIKey |
RMZIOVJHUJAAEY-UHFFFAOYSA-N |
| Molecular Weight |
128.171 g/mol |
| Number of Peaks |
48 |
| RI1 |
881 |
| RI2 |
545 |
| RI3 |
586 |
| RI4 |
730 |
| SMILES |
C=CCOC(=O)CCC |
| SPLASH |
splash10-006x-9000000000-bd971adf8053324e98ad |
| 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-propen-1-yl ester |
| Wiley ID |
LM_FFNSC3_1895 |
