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1,1-Dibromo-12-(1-pyrenyl)dodec-1-ene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,1-Dibromo-12-(1-pyrenyl)dodec-1-ene
SpectraBase Compound ID 3PvIFus7YTA
InChI InChI=1S/C28H30Br2/c29-26(30)14-9-7-5-3-1-2-4-6-8-11-21-15-16-24-18-17-22-12-10-13-23-19-20-25(21)28(24)27(22)23/h10,12-20H,1-9,11H2
InChIKey ONAKDVJDZWAUJG-UHFFFAOYSA-N
Mol Weight 526.36 g/mol
Molecular Formula C28H30Br2
Exact Mass 524.071427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KuV0zbgTuVH
Name 1,1-Dibromo-12-(1-pyrenyl)dodec-1-ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.071426966 u
Formula C28H30Br2
InChI InChI=1S/C28H30Br2/c29-26(30)14-9-7-5-3-1-2-4-6-8-11-21-15-16-24-18-17-22-12-10-13-23-19-20-25(21)28(24)27(22)23/h10,12-20H,1-9,11H2
InChIKey ONAKDVJDZWAUJG-UHFFFAOYSA-N
Molecular Weight 526.356 g/mol
SMILES C(=CCCCCCCCCCCC=1C=CC2=CC=C3C=CC=C4C=CC1C2=C34)(Br)Br