| SpectraBase Spectrum ID |
JGqnqFOFHGq |
| Name |
Butanoic acid hexyl ester |
| CAS Registry Number |
2639-63-6 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
172.146329882 u |
| Formula |
C10H20O2 |
| InChI |
InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3 |
| InChIKey |
XAPCMTMQBXLDBB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
172.268 g/mol |
| Nominal Mass |
172 u |
| Quality |
985 |
| Retention Index |
1177 |
| SMILES |
C(OCCCCCC)(CCC)=O |
| SPLASH |
splash10-0006-9000000000-0227725462b02ddd81a8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hexyl butanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006153 |
