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Ethyl 4-((1S,4R)-3-bromobicyclo[2.2.1]hepta-2,5-dien-2-yl)benzoate
SpectraBase Compound ID 6GbP53cMF73
InChI InChI=1S/C16H15BrO2/c1-2-19-16(18)11-5-3-10(4-6-11)14-12-7-8-13(9-12)15(14)17/h3-8,12-13H,2,9H2,1H3/t12-,13+/m0/s1
InChIKey BLNNTALSHKOWKK-QWHCGFSZSA-N
Mol Weight 319.2 g/mol
Molecular Formula C16H15BrO2
Exact Mass 318.025543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GE1sEKiDiD
Name Ethyl 4-((1S,4R)-3-bromobicyclo[2.2.1]hepta-2,5-dien-2-yl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15BrO2
InChI InChI=1S/C16H15BrO2/c1-2-19-16(18)11-5-3-10(4-6-11)14-12-7-8-13(9-12)15(14)17/h3-8,12-13H,2,9H2,1H3/t12-,13+/m0/s1
InChIKey BLNNTALSHKOWKK-QWHCGFSZSA-N
Literature Reference DOI 10.1002/anie.201302058
Molecular Weight 319.198 g/mol
SMILES C=1[C@@]2([H])C[C@]([H])(C(=C2c2ccc(cc2)C(OCC)=O)Br)C1
SPLASH splash10-014i-1935000000-bdd4d04187ab06498929
Source of Spectrum ACI-52-SMS30-8l
Synonyms Ethyl 4-((1R,4R)-3-bromobicyclo[2.2.1]hepta-2,5-dien-2-yl)benzoate
Wiley ID 1781461