| SpectraBase Spectrum ID |
4N3lAAjLxg |
| Name |
Caprylic acid ME |
| CAS Registry Number |
111-11-5 |
| Classification |
Fatty acid |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
158.130679818 u |
| Formula |
C9H18O2 |
| InChI |
InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 |
| InChIKey |
JGHZJRVDZXSNKQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
158.241 g/mol |
| SMILES |
COC(CCCCCCC)=O |
| SPLASH |
splash10-05fr-9100000000-b7f3a069a29a104a0e5b |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2664 |
