| SpectraBase Spectrum ID |
7xAtSGtSIcA |
| Name |
Pent-4-enoate |
| CAS Registry Number |
1968-40-7 |
| 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/c1-3-5-6-7(8)9-4-2/h3H,1,4-6H2,2H3 |
| InChIKey |
PTVSRINJXWDIKP-UHFFFAOYSA-N |
| Molecular Weight |
128.171 g/mol |
| Number of Peaks |
50 |
| RI1 |
881 |
| RI2 |
545 |
| RI3 |
576 |
| RI4 |
539 |
| SMILES |
C=CCCC(OCC)=O |
| SPLASH |
splash10-0a4i-9000000000-c92c083c13ccb548279d |
| 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 |
4-Pentenoic acid, ethyl ester |
| Wiley ID |
LM_FFNSC3_1389 |
