![2-[4(a)-(Methoxycarbonyl)cyclohex-(e)-yl]-3,5,6-trimethyl-1,4-benzoquinone](/api/spectrum/2KJ17104mkT/structure.png?h=300&w=458 "2-[4(a)-(Methoxycarbonyl)cyclohex-(e)-yl]-3,5,6-trimethyl-1,4-benzoquinone")
| SpectraBase Compound ID | 3KhFm8sNvLw |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-9-10(2)16(19)14(11(3)15(9)18)12-5-7-13(8-6-12)17(20)21-4/h12-13H,5-8H2,1-4H3/t12-,13- |
| InChIKey | DWOWOZWJENQIAP-UHFFFAOYSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2KJ17104mkT |
|---|---|
| Name | 2-[4(a)-(Methoxycarbonyl)cyclohex-(e)-yl]-3,5,6-trimethyl-1,4-benzoquinone |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-9-10(2)16(19)14(11(3)15(9)18)12-5-7-13(8-6-12)17(20)21-4/h12-13H,5-8H2,1-4H3 |
| InChIKey | DWOWOZWJENQIAP-UHFFFAOYSA-N |
| Molecular Weight | 290.359 g/mol |
| SMILES | C1(=C(C(=O)C(=C(C1=O)C)C)C1CCC(C(=O)OC)CC1)C |
| SPLASH | splash10-000x-0090000000-7a562bbe8202cafdb64f |
| Source of Spectrum | J-62-8674-13 |
| Synonyms | 4-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-1-cyclohexanecarboxylic acid methyl ester 4-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)cyclohexanecarboxylic acid methyl ester methyl 4-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)cyclohexanecarboxylate methyl 4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)cyclohexane-1-carboxylate methyl 4-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]cyclohexane-1-carboxylate |
| Wiley ID | 1293778 |