| SpectraBase Compound ID | DVzRkmmXqMP |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-8(2,3)6(10)4-5(9)7(11)12/h4H2,1-3H3,(H,11,12) |
| InChIKey | YTSZIESHCFAFLD-UHFFFAOYSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LnpHIg3UEEc |
|---|---|
| Name | 5,5-Dimethyl-2,4-dioxohexanoic Acid |
| CAS Registry Number | 64165-15-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-8(2,3)6(10)4-5(9)7(11)12/h4H2,1-3H3,(H,11,12) |
| InChIKey | YTSZIESHCFAFLD-UHFFFAOYSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | OC(C(CC(C(C)(C)C)=O)=O)=O |
| SPLASH | splash10-05mo-9200000000-b54726b2d644ed54b0af |
| Source of Spectrum | J-56-5306-4 |
| Wiley ID | 1168502 |