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(6E)-6-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

View entire compound with spectra: 1 NMR

(6E)-6-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID AuwhOjvtRmh
InChI InChI=1S/C19H16ClN5OS/c1-10-7-13(11(2)24(10)15-6-4-5-14(20)9-15)8-16-17(21)25-19(22-18(16)26)27-12(3)23-25/h4-9,21H,1-3H3/b16-8+,21-17?
InChIKey VWCVHCGDJOZJNW-WCCNDZKRSA-N
Mol Weight 397.88 g/mol
Molecular Formula C19H16ClN5OS
Exact Mass 397.076409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EvZyNNXqmdK
Name (6E)-6-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-methyl-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/C19H16ClN5OS/c1-10-7-13(11(2)24(10)15-6-4-5-14(20)9-15)8-16-17(21)25-19(22-18(16)26)27-12(3)23-25/h4-9,21H,1-3H3/b16-8+,21-17?
InChIKey VWCVHCGDJOZJNW-WCCNDZKRSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24504
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: D46678; Labnumber: CEP4-0767; SBI_ID: SBI-024508
Synonyms 6-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C