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(6Z)-2-(2-chlorophenyl)-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID BbQPekx8yM9
InChI InChI=1S/C29H22ClN5O3S/c1-37-24-12-6-7-13-25(24)38-15-14-34-17-18(19-8-3-5-11-23(19)34)16-21-26(31)35-29(32-27(21)36)39-28(33-35)20-9-2-4-10-22(20)30/h2-13,16-17,31H,14-15H2,1H3/b21-16-,31-26?
InChIKey DBTOHVFAALNFHP-CKHCIWTKSA-N
Mol Weight 556.04 g/mol
Molecular Formula C29H22ClN5O3S
Exact Mass 555.113188 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID wAgbVj6unO
Name (6Z)-2-(2-chlorophenyl)-5-imino-6-({1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 555.113188459 u
Formula C29H22ClN5O3S
InChI InChI=1S/C29H22ClN5O3S/c1-37-24-12-6-7-13-25(24)38-15-14-34-17-18(19-8-3-5-11-23(19)34)16-21-26(31)35-29(32-27(21)36)39-28(33-35)20-9-2-4-10-22(20)30/h2-13,16-17,31H,14-15H2,1H3/b21-16-,31-26?
InChIKey DBTOHVFAALNFHP-CKHCIWTKSA-N
Molecular Weight 556.040 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_9
Solvent DMSO-d6
Source Vendor ID: NMR/12259652