| SpectraBase Spectrum ID |
DjooOWhF3Ro |
| Name |
Methyl pentanoate |
| Classification |
Manufacture of plastics and as an insecticide |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
116.083729624 u |
| Formula |
C6H12O2 |
| InChI |
InChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3 |
| InChIKey |
HNBDRPTVWVGKBR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
116.160 g/mol |
| Nominal Mass |
116 u |
| Quality |
922 |
| Retention Index |
790 |
| SMILES |
C(CCCC)(OC)=O |
| SPLASH |
splash10-05g3-9000000000-79669dd30c6d5e985b8f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Methyl n-valerate
Methyl valerate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011628 |
