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5-Apdb N,N-bis(3-iodobenzyl)

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

5-Apdb N,N-bis(3-iodobenzyl)
SpectraBase Compound ID 7iKlnqKFfc8
InChI InChI=1S/C25H25I2NO/c1-18(12-19-8-9-25-22(13-19)10-11-29-25)28(16-20-4-2-6-23(26)14-20)17-21-5-3-7-24(27)15-21/h2-9,13-15,18H,10-12,16-17H2,1H3
InChIKey DKLLEADBXPEXTA-UHFFFAOYSA-N
Mol Weight 609.29 g/mol
Molecular Formula C25H25I2NO
Exact Mass 609.002554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vwxHCdpYjG
Name 5-Apdb N,N-bis(3-iodobenzyl)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 609.002554428 u
Formula C25H25I2NO
InChI InChI=1S/C25H25I2NO/c1-18(12-19-8-9-25-22(13-19)10-11-29-25)28(16-20-4-2-6-23(26)14-20)17-21-5-3-7-24(27)15-21/h2-9,13-15,18H,10-12,16-17H2,1H3
InChIKey DKLLEADBXPEXTA-UHFFFAOYSA-N
Molecular Weight 609.290 g/mol
SMILES C(N(CC=1C=C(C=CC1)I)CC=1C=C(C=CC1)I)(CC=1C=C2C(=CC1)OCC2)C