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N-{5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
SpectraBase Compound ID I5qJwYoFf8h
InChI InChI=1S/C21H21Cl2N3O5S/c1-28-16-9-12(10-17(29-2)19(16)30-3)20(27)24-21-26-25-18(32-21)5-4-8-31-15-7-6-13(22)11-14(15)23/h6-7,9-11H,4-5,8H2,1-3H3,(H,24,26,27)
InChIKey SECYZMWPCMWPPN-UHFFFAOYSA-N
Mol Weight 498.38 g/mol
Molecular Formula C21H21Cl2N3O5S
Exact Mass 497.057897 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jn04D14eZ8Y
Name N-{5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-thiadiazol-2-yl}-3,4,5-trimethoxybenzamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H21Cl2N3O5S/c1-28-16-9-12(10-17(29-2)19(16)30-3)20(27)24-21-26-25-18(32-21)5-4-8-31-15-7-6-13(22)11-14(15)23/h6-7,9-11H,4-5,8H2,1-3H3,(H,24,26,27)
InChIKey SECYZMWPCMWPPN-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28349
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D81321; Labnumber: CEP5-6438; SBI_ID: SBI-028353
Temperature 315 °C