| SpectraBase Spectrum ID |
GvQex9T2DvE |
| Name |
Tiglic acid |
| Source of Sample |
SAFC Cat.no. W359904 |
| CAS Registry Number |
80-59-1 |
| 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-ONEGZZNKSA-N |
| Molecular Weight |
100.117 g/mol |
| Number of Peaks |
35 |
| RI1 |
944 |
| RI2 |
618 |
| SMILES |
OC(\C(=C\C)C)=O |
| SPLASH |
splash10-0zfr-9200000000-44bb3a1485afb8d66ea6 |
| 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-, (2E)- |
| Wiley ID |
LM_FFNSC3_907 |
