| SpectraBase Spectrum ID |
5b3qEwkRWh0 |
| Name |
Methyl butyl-2-methyl butyrate<2-> |
| CAS Registry Number |
2445-78-5 |
| 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 |
172.146329882 u |
| Formula |
C10H20O2 |
| 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/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3 |
| InChIKey |
PVYFCGRBIREQLL-UHFFFAOYSA-N |
| Molecular Weight |
172.268 g/mol |
| Nominal Mass |
172 u |
| Number of Peaks |
62 |
| SMILES |
C(OCC(CC)C)(C(CC)C)=O |
| SPLASH |
splash10-0abl-9000000000-6029e76b13981749ffb1 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001870 |
