| SpectraBase Spectrum ID |
FAsy6ar7mWn |
| Name |
Tiglic aldehyde |
| CAS Registry Number |
497-03-0 |
| 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 |
84.057514877 u |
| Formula |
C5H8O |
| 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/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3- |
| InChIKey |
ACWQBUSCFPJUPN-HYXAFXHYSA-N |
| Molecular Weight |
84.118 g/mol |
| Nominal Mass |
84 u |
| Number of Peaks |
34 |
| SMILES |
C(\C(=C/C)C)=O |
| SPLASH |
splash10-053r-9000000000-15387aeea9cac6c38275 |
| Source |
ex BEDOUKIAN ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002102 |
