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(6Z)-5-imino-6-(1H-indol-3-ylmethylene)-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 14BqmNhCC3B
InChI InChI=1S/C21H15N5O2S/c22-19-16(10-13-11-23-17-9-5-4-8-15(13)17)20(27)24-21-26(19)25-18(29-21)12-28-14-6-2-1-3-7-14/h1-11,22-23H,12H2/b16-10-,22-19?
InChIKey UYEOJDFXCVTKAQ-FIMHLPJISA-N
Mol Weight 401.44 g/mol
Molecular Formula C21H15N5O2S
Exact Mass 401.094646 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IGFbhFWDimX
Name (6Z)-5-imino-6-(1H-indol-3-ylmethylene)-2-(phenoxymethyl)-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/C21H15N5O2S/c22-19-16(10-13-11-23-17-9-5-4-8-15(13)17)20(27)24-21-26(19)25-18(29-21)12-28-14-6-2-1-3-7-14/h1-11,22-23H,12H2/b16-10-,22-19?
InChIKey UYEOJDFXCVTKAQ-FIMHLPJISA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6244
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: 62716; UBI_ID: UBI-006246
Synonyms 5-imino-6-(1H-indol-3-ylmethylene)-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 308 °C