For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

5''-Methyl-5-(3-methanosulfonyl-1-propyl)-2,2':6',2''-terpyridine

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

5''-Methyl-5-(3-methanosulfonyl-1-propyl)-2,2':6',2''-terpyridine
SpectraBase Compound ID 4LP5HTGRcez
InChI InChI=1S/C20H21N3O3S/c1-15-8-10-17(21-13-15)19-6-3-7-20(23-19)18-11-9-16(14-22-18)5-4-12-26-27(2,24)25/h3,6-11,13-14H,4-5,12H2,1-2H3
InChIKey OXTTWXVERAKZFF-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C20H21N3O3S
Exact Mass 383.130363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KydtEcBB4tB
Name 5''-Methyl-5-(3-methanosulfonyl-1-propyl)-2,2':6',2''-terpyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 383.130362719 u
Formula C20H21N3O3S
InChI InChI=1S/C20H21N3O3S/c1-15-8-10-17(21-13-15)19-6-3-7-20(23-19)18-11-9-16(14-22-18)5-4-12-26-27(2,24)25/h3,6-11,13-14H,4-5,12H2,1-2H3
InChIKey OXTTWXVERAKZFF-UHFFFAOYSA-N
Molecular Weight 383.466 g/mol
SMILES C(OS(=O)(=O)C)CCC1=CN=C(C=2N=C(C=3N=CC(=CC3)C)C=CC2)C=C1