| SpectraBase Spectrum ID |
3Ml5kMlpSSh |
| Name |
Crotonic acid <3-methyl-> |
| Source of Sample |
SAFC Cat.no. D138606 |
| CAS Registry Number |
541-47-9 |
| 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/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7) |
| InChIKey |
YYPNJNDODFVZLE-UHFFFAOYSA-N |
| Molecular Weight |
100.117 g/mol |
| Number of Peaks |
36 |
| RI1 |
942 |
| RI2 |
619 |
| RI3 |
1251 |
| RI4 |
1209 |
| RI5 |
878 |
| SMILES |
OC(C=C(C)C)=O |
| SPLASH |
splash10-0ue9-9200000000-93025eaff1f7d18b0d23 |
| 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, 3-methyl- |
| Wiley ID |
LM_FFNSC3_375 |
