| SpectraBase Spectrum ID |
9a1jkzkUHvf |
| Name |
Butenoic acid<3-methyl-2-> |
| 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 |
| 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/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7) |
| InChIKey |
YYPNJNDODFVZLE-UHFFFAOYSA-N |
| Molecular Weight |
100.117 g/mol |
| Nominal Mass |
100 u |
| Number of Peaks |
49 |
| SMILES |
OC(C=C(C)C)=O |
| SPLASH |
splash10-0ue9-9200000000-205d5e52eb351a7f761e |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001459 |
