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Methyl 4-Bromo-2-oxotetracyclo[7.4.0.1(3,5).0(6.8)]dodecatriene-7-carboxylate
SpectraBase Compound ID JS0ZDLEWPzT
InChI InChI=1S/C15H13BrO3/c1-19-15(18)11-9-8-6-4-2-3-5-7(6)14(17)12(10(9)11)13(8)16/h2-5,8-13H,1H3/t8-,9-,10+,11?,12+,13-/m1/s1
InChIKey RKRXKBVQDIFVPB-DMHIBMBZSA-N
Mol Weight 321.17 g/mol
Molecular Formula C15H13BrO3
Exact Mass 320.004807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eHXldXaCVc
Name Methyl 4-Bromo-2-oxotetracyclo[7.4.0.1(3,5).0(6.8)]dodecatriene-7-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13BrO3
InChI InChI=1S/C15H13BrO3/c1-19-15(18)11-9-8-6-4-2-3-5-7(6)14(17)12(10(9)11)13(8)16/h2-5,8-13H,1H3/t8-,9-,10+,11?,12+,13-/m1/s1
InChIKey RKRXKBVQDIFVPB-DMHIBMBZSA-N
Molecular Weight 321.170 g/mol
SMILES [C@@]12([C@@]([C@]3(c4ccccc4C([C@@]2([C@@]3(Br)[H])[H])=O)[H])(C1C(=O)OC)[H])[H]
SPLASH splash10-0fal-3960000000-c866a87f20dc1ac2084a
Source of Spectrum F-53-14459-25a
Wiley ID 804201