| SpectraBase Spectrum ID |
Gj1n6QoRSIq |
| Name |
Butanoic acid, 2-methyl-4-methylhexyl ester- |
| CAS Registry Number |
850309-46-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H24O2 |
| 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/C12H24O2/c1-5-10(3)8-7-9-14-12(13)11(4)6-2/h10-11H,5-9H2,1-4H3 |
| InChIKey |
JIRUNGNWQRCSRR-UHFFFAOYSA-N |
| Molecular Weight |
200.322 g/mol |
| SMILES |
C(C(CC)C)(=O)OCCCC(CC)C |
| SPLASH |
splash10-0a4l-9100000000-7268cc89a2ee9a836748 |
| Source |
ex VASU DEV |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
1887213 |
