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1-(15-Bromo-tricyclo[9.2.2.2*4,7*]heptadeca-1(14),4(17),5,12-hexaen-6-yl)-ethanone
SpectraBase Compound ID FHlezxg6yCz
InChI InChI=1S/C19H19BrO/c1-13(21)18-11-14-5-6-15-8-10-17(19(20)12-15)4-2-3-16(18)9-7-14/h7-12H,2-6H2,1H3
InChIKey URFQLFNVYGSPHB-UHFFFAOYSA-N
Mol Weight 343.26 g/mol
Molecular Formula C19H19BrO
Exact Mass 342.061928 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1o2eI4iu1Ul
Name 1-(15-Bromo-tricyclo[9.2.2.2*4,7*]heptadeca-1(14),4(17),5,12-hexaen-6-yl)-ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.061928231 u
Formula C19H19BrO
InChI InChI=1S/C19H19BrO/c1-13(21)18-11-14-5-6-15-8-10-17(19(20)12-15)4-2-3-16(18)9-7-14/h7-12H,2-6H2,1H3
InChIKey URFQLFNVYGSPHB-UHFFFAOYSA-N
Molecular Weight 343.264 g/mol
SMILES C=1(C(=O)C)C2=CC=C(C1)CCC1=CC(=C(CCC2)C=C1)Br