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5,5'-Bis-[3-iodo-5-(tetrahydropyran-2-yloxymethyl)phenyl-[2,2']bipyridinyl
SpectraBase Compound ID 9Zzuht1WXTp
InChI InChI=1S/C34H34I2N2O4/c35-29-15-23(21-41-33-5-1-3-11-39-33)13-27(17-29)25-7-9-31(37-19-25)32-10-8-26(20-38-32)28-14-24(16-30(36)18-28)22-42-34-6-2-4-12-40-34/h7-10,13-20,33-34H,1-6,11-12,21-22H2
InChIKey DGZASKVPMVCYBP-UHFFFAOYSA-N
Mol Weight 788.5 g/mol
Molecular Formula C34H34I2N2O4
Exact Mass 788.060798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2WlIrXjLYKV
Name 5,5'-Bis-[3-iodo-5-(tetrahydropyran-2-yloxymethyl)phenyl-[2,2']bipyridinyl
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H34I2N2O4
InChI InChI=1S/C34H34I2N2O4/c35-29-15-23(21-41-33-5-1-3-11-39-33)13-27(17-29)25-7-9-31(37-19-25)32-10-8-26(20-38-32)28-14-24(16-30(36)18-28)22-42-34-6-2-4-12-40-34/h7-10,13-20,33-34H,1-6,11-12,21-22H2
InChIKey DGZASKVPMVCYBP-UHFFFAOYSA-N
Molecular Weight 788.465 g/mol
SMILES c1(ncc(cc1)-c1cc(I)cc(c1)COC1OCCCC1)-c1ncc(-c2cc(I)cc(c2)COC2OCCCC2)cc1
SPLASH splash10-000i-0000004900-9502f8d26367ac69bded
Source of Spectrum QE-8-363-2
Wiley ID 1557080