| SpectraBase Spectrum ID |
1Hit3URoNNj |
| Name |
Valeric acid<3-methyl-> |
| CAS Registry Number |
105-43-1 |
| 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 |
116.083729624 u |
| Formula |
C6H12O2 |
| 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/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChIKey |
IGIDLTISMCAULB-UHFFFAOYSA-N |
| Molecular Weight |
116.160 g/mol |
| Nominal Mass |
116 u |
| Number of Peaks |
47 |
| SMILES |
OC(CC(CC)C)=O |
| SPLASH |
splash10-03dl-9000000000-4a16bc87a88f8532aea1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA002199 |
