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(6E)-2-(1-ethylpropyl)-5-imino-6-{[1-(3-phenoxypropyl)-1H-indol-3-yl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID HjIQ6hIiZDN
InChI InChI=1S/C28H29N5O2S/c1-3-19(4-2)27-31-33-25(29)23(26(34)30-28(33)36-27)17-20-18-32(24-14-9-8-13-22(20)24)15-10-16-35-21-11-6-5-7-12-21/h5-9,11-14,17-19,29H,3-4,10,15-16H2,1-2H3/b23-17+,29-25?
InChIKey NAQXMZMNPRIOTN-UREHTDJCSA-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 I0avx2oYPm3
Name (6E)-2-(1-ethylpropyl)-5-imino-6-{[1-(3-phenoxypropyl)-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/c1-3-19(4-2)27-31-33-25(29)23(26(34)30-28(33)36-27)17-20-18-32(24-14-9-8-13-22(20)24)15-10-16-35-21-11-6-5-7-12-21/h5-9,11-14,17-19,29H,3-4,10,15-16H2,1-2H3/b23-17+,29-25?
InChIKey NAQXMZMNPRIOTN-UREHTDJCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25870
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: D61690; Labnumber: CEP4-3765; SBI_ID: SBI-025874
Synonyms 2-(1-ethylpropyl)-5-imino-6-{[1-(3-phenoxypropyl)-1H-indol-3-yl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C