| SpectraBase Compound ID | EEi3AfcrCkB |
|---|---|
| InChI | InChI=1S/C17H19BrO5/c1-5-22-14(20)17(4)13(19)16(2,3)12(23-15(17)21)10-6-8-11(18)9-7-10/h6-9,12H,5H2,1-4H3 |
| InChIKey | JWSYUFJCQBMDFV-UHFFFAOYSA-N |
| Mol Weight | 383.24 g/mol |
| Molecular Formula | C17H19BrO5 |
| Exact Mass | 382.041587 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B3lGX993tpo |
|---|---|
| Name | Ethyl 6-(4-bromophenyl)-3,5,5-trimethyl-2,4-dioxotetrahydro-2H-pyran-3-carboxylate |
| CAS Registry Number | 299918-94-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H19BrO5 |
| InChI | InChI=1S/C17H19BrO5/c1-5-22-14(20)17(4)13(19)16(2,3)12(23-15(17)21)10-6-8-11(18)9-7-10/h6-9,12H,5H2,1-4H3 |
| InChIKey | JWSYUFJCQBMDFV-UHFFFAOYSA-N |
| Molecular Weight | 383.238 g/mol |
| SMILES | C1(C(C(C)(C)C(OC1=O)c1ccc(cc1)Br)=O)(C(=O)OCC)C |
| SPLASH | splash10-00ds-8941000000-53621ca61b911e3aaa7c |
| Source of Spectrum | AD-0-2532-0 |
| Synonyms | 6-(4-bromophenyl)-2,4-diketo-3,5,5-trimethyl-tetrahydropyran-3-carboxylic acid ethyl ester 6-(4-bromophenyl)-3,5,5-trimethyl-2,4-dioxo-3-oxanecarboxylic acid ethyl ester Ethyl 6-(4-bromophenyl)-3,5,5-trimethyl-2,4-bis(oxidanylidene)oxane-3-carboxylate Ethyl 6-(4-bromophenyl)-3,5,5-trimethyl-2,4-dioxo-tetrahydropyran-3-carboxylate Ethyl 6-(4-bromophenyl)-3,5,5-trimethyl-2,4-dioxooxane-3-carboxylate Oxane-3-carboxylic acid, 6-(4-bromophenyl)-3,5,5-trimethyl-2,4-dioxo-, ethyl ester |
| Wiley ID | 1431142 |