| SpectraBase Spectrum ID |
3AHmyBEq3s |
| Name |
Isovaleric acid |
| CAS Registry Number |
503-74-2 |
| 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 |
102.068079560 u |
| Formula |
C5H10O2 |
| 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/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChIKey |
GWYFCOCPABKNJV-UHFFFAOYSA-N |
| Molecular Weight |
102.133 g/mol |
| Nominal Mass |
102 u |
| Number of Peaks |
43 |
| SMILES |
OC(CC(C)C)=O |
| SPLASH |
splash10-01ox-9000000000-2d28363c16a904ebad2d |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001808 |
