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

*Links on SpectraBase are not permalinks.
(6E)-6-{[1-(3,5-dimethylphenyl)-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 2YZrelxcbMb
InChI InChI=1S/C24H27N5OS/c1-13(2)7-21-27-29-22(25)20(23(30)26-24(29)31-21)12-18-11-16(5)28(17(18)6)19-9-14(3)8-15(4)10-19/h8-13,25H,7H2,1-6H3/b20-12+,25-22?
InChIKey NSIOGGRBQCULCL-RLRFCYPDSA-N
Mol Weight 433.57 g/mol
Molecular Formula C24H27N5OS
Exact Mass 433.193632 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 5NR4E8W1cIw
Name (6E)-6-{[1-(3,5-dimethylphenyl)-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/C24H27N5OS/c1-13(2)7-21-27-29-22(25)20(23(30)26-24(29)31-21)12-18-11-16(5)28(17(18)6)19-9-14(3)8-15(4)10-19/h8-13,25H,7H2,1-6H3/b20-12+,25-22?
InChIKey NSIOGGRBQCULCL-RLRFCYPDSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4151
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: E01055; Labnumber: CEP4-1049; SBI_ID: SBI-004153
Synonyms 6-{[1-(3,5-dimethylphenyl)-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