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(6E)-6-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID BGLHE1MqnNg
InChI InChI=1S/C22H21Cl2N5OS/c1-11(2)7-19-27-29-20(25)16(21(30)26-22(29)31-19)9-14-8-12(3)28(13(14)4)18-6-5-15(23)10-17(18)24/h5-6,8-11,25H,7H2,1-4H3/b16-9+,25-20?
InChIKey SSPGACLAFKWQLC-UOSKESRZSA-N
Mol Weight 474.41 g/mol
Molecular Formula C22H21Cl2N5OS
Exact Mass 473.084387 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I0W302q7rv
Name (6E)-6-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-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/C22H21Cl2N5OS/c1-11(2)7-19-27-29-20(25)16(21(30)26-22(29)31-19)9-14-8-12(3)28(13(14)4)18-6-5-15(23)10-17(18)24/h5-6,8-11,25H,7H2,1-4H3/b16-9+,25-20?
InChIKey SSPGACLAFKWQLC-UOSKESRZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4176
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: E01084; Labnumber: CEP4-1612; SBI_ID: SBI-004178
Synonyms 6-{[1-(2,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C