| SpectraBase Spectrum ID |
Emxf6SNdPn |
| Name |
Hexanoic acid<2-methyl-> |
| CAS Registry Number |
4536-23-6 |
| 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 |
130.099379689 u |
| Formula |
C7H14O2 |
| 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/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 |
| Nominal Mass |
130 u |
| Number of Peaks |
56 |
| 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 |
| Wiley ID |
RA001709 |
