| SpectraBase Spectrum ID |
1gqpB6RNlIj |
| Name |
Crotonate |
| CAS Registry Number |
25415-76-3 |
| 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/c1-3-5-6-8-11-9(10)7-4-2/h4,7H,3,5-6,8H2,1-2H3/b7-4+ |
| InChIKey |
PWYYERNADDIMJR-QPJJXVBHSA-N |
| Molecular Weight |
156.225 g/mol |
| Number of Peaks |
50 |
| RI1 |
1143 |
| RI2 |
820 |
| RI3 |
838 |
| RI4 |
792 |
| SMILES |
C\C=C\C(OCCCCC)=O |
| SPLASH |
splash10-014u-9000000000-761d8977ac4e82007198 |
| 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-Butenoic acid, pentyl ester |
| Wiley ID |
LM_FFNSC3_1881 |
