| SpectraBase Spectrum ID |
1q6hcWxwjA |
| Name |
Tiglic acid |
| 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 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| 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 |
| Nominal Mass |
100 u |
| Number of Peaks |
26 |
| SMILES |
OC(\C(=C\C)C)=O |
| SPLASH |
splash10-0zfr-9200000000-606bf76d4ac872988e92 |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002101 |
