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3C-fe N,N-bis(3-Bromobenzyl)

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3C-fe N,N-bis(3-Bromobenzyl)
SpectraBase Compound ID F0z4CTkl0Hc
InChI InChI=1S/C27H30Br2FNO3/c1-19(12-22-15-25(32-2)27(34-11-10-30)26(16-22)33-3)31(17-20-6-4-8-23(28)13-20)18-21-7-5-9-24(29)14-21/h4-9,13-16,19H,10-12,17-18H2,1-3H3
InChIKey BEBJZVRDMTYDDX-UHFFFAOYSA-N
Mol Weight 595.35 g/mol
Molecular Formula C27H30Br2FNO3
Exact Mass 593.057648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9st4P6xZ0LC
Name 3C-fe N,N-bis(3-Bromobenzyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 593.057647990 u
Formula C27H30Br2FNO3
InChI InChI=1S/C27H30Br2FNO3/c1-19(12-22-15-25(32-2)27(34-11-10-30)26(16-22)33-3)31(17-20-6-4-8-23(28)13-20)18-21-7-5-9-24(29)14-21/h4-9,13-16,19H,10-12,17-18H2,1-3H3
InChIKey BEBJZVRDMTYDDX-UHFFFAOYSA-N
Molecular Weight 595.347 g/mol
SMILES C=1(C(=CC(=CC1OC)CC(N(CC=1C=C(C=CC1)Br)CC=1C=C(C=CC1)Br)C)OC)OCCF