| SpectraBase Spectrum ID |
9KrIEYnwnrB |
| Name |
2-Methylhexanoic acid |
| CAS Registry Number |
4536-23-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H14O2 |
| 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/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9) |
| InChIKey |
CVKMFSAVYPAZTQ-UHFFFAOYSA-N |
| Molecular Weight |
130.187 g/mol |
| SMILES |
OC(C(CCCC)C)=O |
| SPLASH |
splash10-00di-9000000000-38cdefe3bbea73b24f16 |
| Source |
ex BEDOUKIAN ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Hexanoic acid<2-methyl-> |
| Wiley ID |
1887470 |
