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4'-[4-(3-Tosyloxypropoxy)phenyl]-2,2':6',2"-terpyridine
SpectraBase Compound ID 4vLkTukK8cE
InChI InChI=1S/C31H27N3O4S/c1-23-9-15-27(16-10-23)39(35,36)38-20-6-19-37-26-13-11-24(12-14-26)25-21-30(28-7-2-4-17-32-28)34-31(22-25)29-8-3-5-18-33-29/h2-5,7-18,21-22H,6,19-20H2,1H3
InChIKey HNLFURSLWNVQCF-UHFFFAOYSA-N
Mol Weight 537.63 g/mol
Molecular Formula C31H27N3O4S
Exact Mass 537.172228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJzGfX3Ripx
Name 4'-[4-(3-Tosyloxypropoxy)phenyl]-2,2':6',2"-terpyridine
Alternate Name(s) 3-{4-[2,6-bis(pyridin-2-yl)pyridin-4-yl]phenoxy}propyl 4-methylbenzene-1-sulfonate 4'-[4-(3-Tosyloxypropoxy)phenyl]-2,2':6',2''-terpyridine
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Formula C31H27N3O4S
InChI InChI=1S/C31H27N3O4S/c1-23-9-15-27(16-10-23)39(35,36)38-20-6-19-37-26-13-11-24(12-14-26)25-21-30(28-7-2-4-17-32-28)34-31(22-25)29-8-3-5-18-33-29/h2-5,7-18,21-22H,6,19-20H2,1H3
InChIKey HNLFURSLWNVQCF-UHFFFAOYSA-N
Molecular Weight 537.634 g/mol
SMILES c1(S(=O)(=O)OCCCOc2ccc(-c3cc(-c4ncccc4)nc(c3)-c3ncccc3)cc2)ccc(cc1)C
SPLASH splash10-00xr-0009000000-6f4fab01c6723a3a5dde
Source of Spectrum QE-2-1090-11
Wiley ID 842759