| SpectraBase Spectrum ID |
3kFrlS0tX03 |
| Name |
Butanoic acid, 2-methyl-4-methylpentyl ester |
| CAS Registry Number |
35852-40-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H22O2 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness) |
| GC Oven Program |
60 ??C to 246 ??C at 3 ??C/min. |
| InChI |
InChI=1S/C11H22O2/c1-5-10(4)11(12)13-8-6-7-9(2)3/h9-10H,5-8H2,1-4H3 |
| InChIKey |
RMXBPCDIHPZCQB-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| SMILES |
C(C(CC)C)(=O)OCCCC(C)C |
| SPLASH |
splash10-052f-9100000000-37aeb949c1f1fdc8c155 |
| Source |
ex VASU DEV |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1887215 |
