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ethyl 4-[({[5-({[(4-chlorophenoxy)acetyl]amino}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID Aoxh0nWQh8C
InChI InChI=1S/C22H21ClN4O6S/c1-2-31-21(30)14-3-7-16(8-4-14)25-19(29)13-34-22-27-26-20(33-22)11-24-18(28)12-32-17-9-5-15(23)6-10-17/h3-10H,2,11-13H2,1H3,(H,24,28)(H,25,29)
InChIKey CPOGDISASLNFSN-UHFFFAOYSA-N
Mol Weight 504.95 g/mol
Molecular Formula C22H21ClN4O6S
Exact Mass 504.087033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2kKD2uVR9y0
Name ethyl 4-[({[5-({[(4-chlorophenoxy)acetyl]amino}methyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.087033280 u
Formula C22H21ClN4O6S
InChI InChI=1S/C22H21ClN4O6S/c1-2-31-21(30)14-3-7-16(8-4-14)25-19(29)13-34-22-27-26-20(33-22)11-24-18(28)12-32-17-9-5-15(23)6-10-17/h3-10H,2,11-13H2,1H3,(H,24,28)(H,25,29)
InChIKey CPOGDISASLNFSN-UHFFFAOYSA-N
Molecular Weight 504.945 g/mol
NMR Offset 17.9888
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8673
Solvent CDCl3
Source Vendor ID: NMR/13219977