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25B-N(Bome)2

View entire compound with spectra: 1 NMR, and 2 MS (GC)

25B-N(Bome)2
SpectraBase Compound ID L4frgolxGz1
InChI InChI=1S/C26H30BrNO4/c1-29-23-11-7-5-9-20(23)17-28(18-21-10-6-8-12-24(21)30-2)14-13-19-15-26(32-4)22(27)16-25(19)31-3/h5-12,15-16H,13-14,17-18H2,1-4H3
InChIKey RLAXQBUUAJLBAN-UHFFFAOYSA-N
Mol Weight 500.43 g/mol
Molecular Formula C26H30BrNO4
Exact Mass 499.135821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FF0K7GrZJvn
Name 25B-N(Bome)2
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.135821446 u
Formula C26H30BrNO4
InChI InChI=1S/C26H30BrNO4/c1-29-23-11-7-5-9-20(23)17-28(18-21-10-6-8-12-24(21)30-2)14-13-19-15-26(32-4)22(27)16-25(19)31-3/h5-12,15-16H,13-14,17-18H2,1-4H3
InChIKey RLAXQBUUAJLBAN-UHFFFAOYSA-N
Molecular Weight 500.433 g/mol
SMILES C1=C(C(=CC(=C1Br)OC)CCN(CC=1C(=CC=CC1)OC)CC=1C(=CC=CC1)OC)OC