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(6E)-6-({1-[3-(2,6-dimethylphenoxy)propyl]-1H-indol-3-yl}methylene)-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID E9KWy4l0L8T
InChI InChI=1S/C30H26N6O2S/c1-19-8-5-9-20(2)26(19)38-15-7-14-35-18-22(23-11-3-4-12-25(23)35)16-24-27(31)36-30(33-28(24)37)39-29(34-36)21-10-6-13-32-17-21/h3-6,8-13,16-18,31H,7,14-15H2,1-2H3/b24-16+,31-27?
InChIKey DBKLPUFNRKSYAR-VJAHKBQOSA-N
Mol Weight 534.64 g/mol
Molecular Formula C30H26N6O2S
Exact Mass 534.183795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F2sRAmeLmyr
Name (6E)-6-({1-[3-(2,6-dimethylphenoxy)propyl]-1H-indol-3-yl}methylene)-5-imino-2-(3-pyridinyl)-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/C30H26N6O2S/c1-19-8-5-9-20(2)26(19)38-15-7-14-35-18-22(23-11-3-4-12-25(23)35)16-24-27(31)36-30(33-28(24)37)39-29(34-36)21-10-6-13-32-17-21/h3-6,8-13,16-18,31H,7,14-15H2,1-2H3/b24-16+,31-27?
InChIKey DBKLPUFNRKSYAR-VJAHKBQOSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21606
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: D55137; Labnumber: CEP5-0913; SBI_ID: SBI-021610
Synonyms 6-({1-[3-(2,6-dimethylphenoxy)propyl]-1H-indol-3-yl}methylene)-5-imino-2-(3-pyridinyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C