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(1S,4S,E)-5-(Bromo(p-tolyl)methylene)bicyclo[2.2.2]oct-2-ene
SpectraBase Compound ID G4ZjW8bKOJw
InChI InChI=1S/C16H17Br/c1-11-2-6-14(7-3-11)16(17)15-10-12-4-8-13(15)9-5-12/h2-4,6-8,12-13H,5,9-10H2,1H3/b16-15+/t12-,13-/m1/s1
InChIKey YDYMBTOKFDPCIU-QVDVFPETSA-N
Mol Weight 289.22 g/mol
Molecular Formula C16H17Br
Exact Mass 288.051364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KpvHlfymbGB
Name (1S,4S,E)-5-(Bromo(p-tolyl)methylene)bicyclo[2.2.2]oct-2-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17Br
InChI InChI=1S/C16H17Br/c1-11-2-6-14(7-3-11)16(17)15-10-12-4-8-13(15)9-5-12/h2-4,6-8,12-13H,5,9-10H2,1H3/b16-15+/t12-,13-/m1/s1
InChIKey YDYMBTOKFDPCIU-QVDVFPETSA-N
Literature Reference DOI 10.1002/adsc.201400671
Molecular Weight 289.216 g/mol
SMILES C=1[C@]2(\C(=C/(c3ccc(cc3)C)Br)C[C@@](C1)([H])CC2)[H]
SPLASH splash10-02cr-0960000000-bea03b4435448a87addd
Source of Spectrum ASC-356-3816/SM25-2r
Wiley ID 1769787