| SpectraBase Spectrum ID |
JqgONMZ9TSh |
| Name |
5-ketohexanoic acid methyl ester |
| Alternate Name(s) |
5-Oxohexanoic acid methyl ester
Methyl 5-oxidanylidenehexanoate
Methyl 5-oxohexanoate |
| Comments |
Original formula: C6[13C]H12O3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H12O3 |
| InChI |
InChI=1S/C7H12O3/c1-6(8)4-3-5-7(9)10-2/h3-5H2,1-2H3/i1+1 |
| InChIKey |
AVVPOKSKJSJVIX-OUBTZVSYSA-N |
| Molecular Weight |
145.162 g/mol |
| SMILES |
[13CH3]C(=O)CCCC(=O)OC |
| SPLASH |
splash10-03e0-6900000000-6aecd121f48e1709e9b8 |
| Source of Spectrum |
KC-60-1890-8 |
| Wiley ID |
1583516 |
