| SpectraBase Spectrum ID |
EDsDtZVJ4HL |
| Name |
Angelic acid |
| CAS Registry Number |
565-63-9 |
| 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/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3- |
| InChIKey |
UIERETOOQGIECD-ARJAWSKDSA-N |
| Molecular Weight |
100.117 g/mol |
| Number of Peaks |
50 |
| RI1 |
904 |
| RI2 |
574 |
| SMILES |
OC(\C(C)=C/C)=O |
| SPLASH |
splash10-0zfr-9200000000-b066e178b05ad445c738 |
| 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, 2-methyl-, (2Z)- |
| Wiley ID |
LM_FFNSC3_3462 |
