For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(6E)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID BDAKTDABAoB
InChI InChI=1S/C27H25N5O2S/c1-16-10-11-21(12-17(16)2)31-18(3)13-20(19(31)4)14-23-25(28)32-27(29-26(23)33)35-24(30-32)15-34-22-8-6-5-7-9-22/h5-14,28H,15H2,1-4H3/b23-14+,28-25?
InChIKey DWQNFUWUNCCJOE-YNRWKYOSSA-N
Mol Weight 483.59 g/mol
Molecular Formula C27H25N5O2S
Exact Mass 483.172896 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HVNLo4rFdqe
Name (6E)-6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-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/C27H25N5O2S/c1-16-10-11-21(12-17(16)2)31-18(3)13-20(19(31)4)14-23-25(28)32-27(29-26(23)33)35-24(30-32)15-34-22-8-6-5-7-9-22/h5-14,28H,15H2,1-4H3/b23-14+,28-25?
InChIKey DWQNFUWUNCCJOE-YNRWKYOSSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4181
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: E01091; Labnumber: CEP4-1714; SBI_ID: SBI-004183
Synonyms 6-{[1-(3,4-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C