| SpectraBase Spectrum ID |
KHWUKg4uBqk |
| Name |
Levulinic acid, methyl ester (D5) |
| Alternate Name(s) |
Methyl 4-oxopentanoate (D5)
4-Ketovaleric acid methyl ester (D5)
Pentanoic acid, 4-oxo-, methyl ester (D5)
4-Oxo-pentanoic acid methyl ester (D5)
Methyl 4-oxovalerate (D5)
Methyl ester of 4-Oxopentanoic acid (D5)
Methyl levulinate (D5)
Methyl levulate (D5) |
| CAS Registry Number |
624-45-3 |
| Comments |
Note: The molecular formula of the structure shown is C6H10O3 - which differs from the formula reported for the mass spectrum (C6H5D5O3) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H5D5O3 |
| InChI |
InChI=1S/C6H10O3/c1-5(7)3-4-6(8)9-2/h3-4H2,1-2H3 |
| InChIKey |
UAGJVSRUFNSIHR-UHFFFAOYSA-N |
| Molecular Weight |
130.143 g/mol |
| SMILES |
CC(=O)CCC(=O)OC |
| SPLASH |
splash10-0002-9300000000-c4317aba7c83b08e14cb |
| Wiley ID |
1484979 |
