| SpectraBase Spectrum ID |
8P7PwqTVStw |
| Name |
4-Octanone |
| Alternate Name(s) |
Butyl propyl ketone
N-C4H9COCH2CH2CH3
Octan-4-one
Propyl butyl ketone
Propyl n-butyl ketone
EINECS 209-655-9 |
| CAS Registry Number |
589-63-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H16O |
| InChI |
InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3-7H2,1-2H3 |
| InChIKey |
YWXLSHOWXZUMSR-UHFFFAOYSA-N |
| Molecular Weight |
128.215 g/mol |
| SMILES |
C(=O)(CCC)CCCC |
| SPLASH |
splash10-0006-9100000000-2df9d3e7a317abeb1f55 |
| Source of Spectrum |
J-61-6059-3 |
| Wiley ID |
1131797 |
