| SpectraBase Spectrum ID |
DleyDsGYsiG |
| Name |
Pentan-3-one |
| CAS Registry Number |
96-22-0 |
| Classification |
Chemical |
| 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 |
86.073164941 u |
| Formula |
C5H10O |
| InChI |
InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3 |
| InChIKey |
FDPIMTJIUBPUKL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
86.134 g/mol |
| Nominal Mass |
86 u |
| Quality |
963 |
| Retention Index |
675 |
| SMILES |
C(CC)(CC)=O |
| SPLASH |
splash10-0a6r-9000000000-d5420f5e1d50b2ea8f78 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Pentanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024708 |
