| SpectraBase Compound ID | ELuxBPN9X1N |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-13(2)5-4-9(14)7-6-8(12(16)17-3)11(15)10(7)13/h8H,4-6H2,1-3H3 |
| InChIKey | BJCRCXKQFAXVNZ-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KuGCvne7HZr |
|---|---|
| Name | Methyl 7,7-dimethyl-1,4-dioxo-2,3,4,5,6,7-hexahydro-1H-indene-2-carboxylate |
| Alternate Name(s) | 3,7-Diketo-4,4-dimethyl-1,2,5,6-tetrahydroindene-2-carboxylic acid methyl ester 4,4-Dimethyl-3,7-dioxo-1,2,5,6-tetrahydroindene-2-carboxylic acid methyl ester 7,7-Dimethyl-1,4-dioxo-2,3,4,5,6,7-hexahydro-1H-indene-2-carboxylic acid methyl ester Methyl 4,4-dimethyl-3,7-bis(oxidanylidene)-1,2,5,6-tetrahydroindene-2-carboxylate Methyl 4,4-dimethyl-3,7-dioxo-1,2,5,6-tetrahydroindene-2-carboxylate |
| CAS Registry Number | 51799-98-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-13(2)5-4-9(14)7-6-8(12(16)17-3)11(15)10(7)13/h8H,4-6H2,1-3H3 |
| InChIKey | BJCRCXKQFAXVNZ-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1(=O)C=2CC(C(C2C(CC1)(C)C)=O)C(=O)OC |
| SPLASH | splash10-0f79-0590000000-c5874d99c974ff2eb739 |
| Source of Spectrum | F-47-1413-7 |
| Wiley ID | 1238063 |