| SpectraBase Spectrum ID |
3xA4PLAXInx |
| Name |
Propanoate |
| Source of Sample |
SAFC Cat.no. W221104 |
| CAS Registry Number |
590-01-2 |
| 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 |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3 |
| InChIKey |
BTMVHUNTONAYDX-UHFFFAOYSA-N |
| Molecular Weight |
130.187 g/mol |
| Number of Peaks |
47 |
| RI1 |
910 |
| RI2 |
586 |
| RI3 |
532 |
| RI4 |
479 |
| RI5 |
895 |
| SMILES |
C(C)CCOC(CC)=O |
| SPLASH |
splash10-0a4i-9000000000-47088cbb506910ec830f |
| 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 |
Propanoic acid, butyl ester |
| Wiley ID |
LM_FFNSC3_41 |
