| SpectraBase Spectrum ID |
BRvPvlO3u7o |
| Name |
Isovaleraldehyde |
| CAS Registry Number |
590-86-3 |
| 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 |
86.073164941 u |
| Formula |
C5H10O |
| 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/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3 |
| InChIKey |
YGHRJJRRZDOVPD-UHFFFAOYSA-N |
| Molecular Weight |
86.134 g/mol |
| Nominal Mass |
86 u |
| Number of Peaks |
29 |
| SMILES |
C(C(C)C)C=O |
| SPLASH |
splash10-0006-9000000000-bd3bda078458c5148266 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001807 |
