| SpectraBase Compound ID | Cj0ayijbtqL |
|---|---|
| InChI | InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-4,6-8,10-11H,2H2,1H3 |
| InChIKey | FQFXYFNHFVFHPV-UHFFFAOYSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C7H12O4 |
| Exact Mass | 160.073559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4Un2NQsvEdu |
|---|---|
| Name | 2,3,4-Trihydroxy-6-methylcyclohexanone |
| CAS Registry Number | 106750-01-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O4 |
| InChI | InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h3-4,6-8,10-11H,2H2,1H3 |
| InChIKey | FQFXYFNHFVFHPV-UHFFFAOYSA-N |
| Molecular Weight | 160.169 g/mol |
| SMILES | OC1C(C(CC(C1O)O)C)=O |
| SPLASH | splash10-05g0-9100000000-a22425f61dd0f2f745ee |
| Source of Spectrum | H-69-1831-1 |
| Synonyms | 2,3,4-trihydroxy-6-methyl-1-cyclohexanone Cyclohexanone, 2,3,4-trihydroxy-6-methyl-, [2S-(2.alpha.,3.beta.,4.beta.,6.alpha.)]- 2,3,4-trihydroxy-6-methyl-cyclohexanone 2,3,4-trihydroxy-6-methylcyclohexan-1-one 6-Methyl-2,3,4-tris(oxidanyl)cyclohexan-1-one |
| Wiley ID | 1156582 |