| SpectraBase Spectrum ID |
2mDVuXLT6Cu |
| Name |
iso-Amyl acetate |
| CAS Registry Number |
123-92-2 |
| Classification |
Fragrance, honey bee pheromone |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
130.099379689 u |
| Formula |
C7H14O2 |
| InChI |
InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3 |
| InChIKey |
MLFHJEHSLIIPHL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
130.187 g/mol |
| Nominal Mass |
130 u |
| Quality |
990 |
| Retention Index |
890 |
| SMILES |
C(OCCC(C)C)(=O)C |
| SPLASH |
splash10-0006-9000000000-80312af0a7d10617c146 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Methylbutyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006383 |
