| SpectraBase Spectrum ID |
JlZ1jzbtqai |
| Name |
Propanoate |
| CAS Registry Number |
53398-80-4 |
| 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 |
156.115029753 u |
| Formula |
C9H16O2 |
| InChI |
InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9(10)4-2/h6-7H,3-5,8H2,1-2H3/b7-6+ |
| InChIKey |
LPWKTEHEFDVAQS-VOTSOKGWSA-N |
| Molecular Weight |
156.225 g/mol |
| Number of Peaks |
50 |
| RI1 |
1106 |
| RI2 |
781 |
| SMILES |
CCC(OC\C=C\CCC)=O |
| SPLASH |
splash10-0a4i-9000000000-b4f81b7558d2afa02e47 |
| 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 |
2-Hexen-1-ol, propanoate, (2E)- |
| Wiley ID |
LM_FFNSC3_1561 |
