| SpectraBase Spectrum ID |
2VdCnuSXxoH |
| Name |
Pentenoic acid <2-> |
| CAS Registry Number |
626-98-2 |
| 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 |
100.052429496 u |
| Formula |
C5H8O2 |
| InChI |
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+ |
| InChIKey |
YIYBQIKDCADOSF-ONEGZZNKSA-N |
| Molecular Weight |
100.117 g/mol |
| Number of Peaks |
50 |
| RI1 |
1116 |
| RI2 |
793 |
| SMILES |
OC(\C=C\CC)=O |
| SPLASH |
splash10-0pb9-9100000000-bc7125e33ab945de07d4 |
| 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-Pentenoic acid |
| Wiley ID |
LM_FFNSC3_1707 |
