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(6E)-2-(1-ethylpropyl)-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID IT17KlDfOWi
InChI InChI=1S/C28H29N5O2S/c1-4-19(5-2)27-31-33-25(29)23(26(34)30-28(33)36-27)16-20-17-32(24-12-7-6-11-22(20)24)13-14-35-21-10-8-9-18(3)15-21/h6-12,15-17,19,29H,4-5,13-14H2,1-3H3/b23-16+,29-25?
InChIKey XXOYJPNDHCYSLK-FMQLZUAWSA-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 JZshwQl41ap
Name (6E)-2-(1-ethylpropyl)-5-imino-6-({1-[2-(3-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/c1-4-19(5-2)27-31-33-25(29)23(26(34)30-28(33)36-27)16-20-17-32(24-12-7-6-11-22(20)24)13-14-35-21-10-8-9-18(3)15-21/h6-12,15-17,19,29H,4-5,13-14H2,1-3H3/b23-16+,29-25?
InChIKey XXOYJPNDHCYSLK-FMQLZUAWSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25841
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: D61661; Labnumber: CEP4-3644; SBI_ID: SBI-025845
Synonyms 2-(1-ethylpropyl)-5-imino-6-({1-[2-(3-methylphenoxy)ethyl]-1H-indol-3-yl}methylene)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C