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(6E)-2-ethyl-5-imino-6-({1-[2-(2-isopropyl-5-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID K6ACZgycdTl
InChI InChI=1S/C28H29N5O2S/c1-5-25-31-33-26(29)22(27(34)30-28(33)36-25)15-19-16-32(23-9-7-6-8-21(19)23)12-13-35-24-14-18(4)10-11-20(24)17(2)3/h6-11,14-17,29H,5,12-13H2,1-4H3/b22-15+,29-26?
InChIKey OHEJPBMYXVKDML-CGYHDWOCSA-N
Mol Weight 499.63 g/mol
Molecular Formula C28H29N5O2S
Exact Mass 499.204196 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4u0nHaxxQJI
Name (6E)-2-ethyl-5-imino-6-({1-[2-(2-isopropyl-5-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-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/C28H29N5O2S/c1-5-25-31-33-26(29)22(27(34)30-28(33)36-25)15-19-16-32(23-9-7-6-8-21(19)23)12-13-35-24-14-18(4)10-11-20(24)17(2)3/h6-11,14-17,29H,5,12-13H2,1-4H3/b22-15+,29-26?
InChIKey OHEJPBMYXVKDML-CGYHDWOCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7452
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: 127243; Labnumber: CEP2K-02947; VK_ID: VK-007456
Synonyms 2-ethyl-5-imino-6-({1-[2-(2-isopropyl-5-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C