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Ethyl 6-(4-bromobenzoyl)-2,2,6-trimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate
SpectraBase Compound ID 5JBhD91c5RK
InChI InChI=1S/C18H19BrO5/c1-5-23-14(21)18-13(16(2,3)24-15(18)22)17(18,4)12(20)10-6-8-11(19)9-7-10/h6-9,13H,5H2,1-4H3
InChIKey CYZZCDDXUJCYGP-UHFFFAOYSA-N
Mol Weight 395.25 g/mol
Molecular Formula C18H19BrO5
Exact Mass 394.041587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5izMzemfbhd
Name Ethyl 6-(4-bromobenzoyl)-2,2,6-trimethyl-4-oxo-3-oxabicyclo[3.1.0]hexane-5-carboxylate
Alternate Name(s) Ethyl 6-(4-bromobenzoyl)-4,4,6-trimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate 6-[(4-bromophenyl)-oxomethyl]-4,4,6-trimethyl-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylic acid ethyl ester Ethyl 6-(4-bromophenyl)carbonyl-4,4,6-trimethyl-2-oxidanylidene-3-oxabicyclo[3.1.0]hexane-1-carboxylate
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Formula C18H19BrO5
InChI InChI=1S/C18H19BrO5/c1-5-23-14(21)18-13(16(2,3)24-15(18)22)17(18,4)12(20)10-6-8-11(19)9-7-10/h6-9,13H,5H2,1-4H3
InChIKey CYZZCDDXUJCYGP-UHFFFAOYSA-N
Molecular Weight 395.249 g/mol
SMILES C12(C(C(c3ccc(cc3)Br)=O)(C)C1C(C)(C)OC2=O)C(=O)OCC
SPLASH splash10-001c-6912000000-24b3949cf265ca997b09
Wiley ID 1444722