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(6E)-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID I9vLesADFJD
InChI InChI=1S/C29H28N6O3S/c1-19-7-6-8-21(15-19)38-14-13-34-18-20(22-9-2-3-10-24(22)34)16-23-27(30)35-29(31-28(23)37)39-25(32-35)17-26(36)33-11-4-5-12-33/h2-3,6-10,15-16,18,30H,4-5,11-14,17H2,1H3/b23-16+,30-27?
InChIKey RSBICWALSIEUJM-PWDQIPGLSA-N
Mol Weight 540.64 g/mol
Molecular Formula C29H28N6O3S
Exact Mass 540.19436 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C7oDDxTMOz6
Name (6E)-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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/C29H28N6O3S/c1-19-7-6-8-21(15-19)38-14-13-34-18-20(22-9-2-3-10-24(22)34)16-23-27(30)35-29(31-28(23)37)39-25(32-35)17-26(36)33-11-4-5-12-33/h2-3,6-10,15-16,18,30H,4-5,11-14,17H2,1H3/b23-16+,30-27?
InChIKey RSBICWALSIEUJM-PWDQIPGLSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21607
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: D55141; Labnumber: CEP5-1005; SBI_ID: SBI-021611
Synonyms 5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C