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DI-TERT.-BUTYL-CIS-4-BrOMO-8,8-DIMETHYL-5-OXOBICYClO-[5.1.0]-OCT-3-ENE-1,7-DICARBOXYLATE
SpectraBase Compound ID LARcb1Y8Fst
InChI InChI=1S/C20H29BrO5/c1-16(2,3)25-14(23)19-10-9-12(21)13(22)11-20(19,18(19,7)8)15(24)26-17(4,5)6/h9H,10-11H2,1-8H3/t19-,20+/m0/s1
InChIKey BLFWMWYJQOJQFN-VQTJNVASSA-N
Mol Weight 429.35 g/mol
Molecular Formula C20H29BrO5
Exact Mass 428.119837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZmeI1kAL3i
Name di-t-butyl cis-4-bromo-8,8-dimethyl-5-oxobicyclo[5.1.0]oct-3-ene-1,7-dicarboxylate
Alternate Name(s) di(tert-butyl) (1S,7R)-4-bromo-8,8-dimethyl-5-oxobicyclo[5.1.0]oct-3-ene-1,7-dicarboxylate
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Formula C20H29BrO5
InChI InChI=1S/C20H29BrO5/c1-16(2,3)25-14(23)19-10-9-12(21)13(22)11-20(19,18(19,7)8)15(24)26-17(4,5)6/h9H,10-11H2,1-8H3/t19-,20+/m0/s1
InChIKey BLFWMWYJQOJQFN-VQTJNVASSA-N
Molecular Weight 429.351 g/mol
SMILES [C@]12([C@](C(OC(C)(C)C)=O)(CC=C(C(C2)=O)Br)C1(C)C)C(OC(C)(C)C)=O
SPLASH splash10-0a4i-9030000000-934c4efbbc39a1dbf473
Source of Spectrum B-48-469-0
Wiley ID 1380583