| SpectraBase Spectrum ID |
ClcbmLZhj0U |
| Name |
Octanoic acid |
| CAS Registry Number |
124-07-2 |
| Comments |
Generally Recognized as Safe; NTIS Accession Number: PB254530 |
| 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 |
144.115029753 u |
| Formula |
C8H16O2 |
| 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/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10) |
| InChIKey |
WWZKQHOCKIZLMA-UHFFFAOYSA-N |
| Molecular Weight |
144.214 g/mol |
| Nominal Mass |
144 u |
| Number of Peaks |
40 |
| SMILES |
OC(CCCCCCC)=O |
| SPLASH |
splash10-03kc-9000000000-0c1f28cf12b029902bfe |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001969 |
