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

*Links on SpectraBase are not permalinks.
(6Z)-6-{3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 14SIX7w3ASt
InChI InChI=1S/C26H27ClN4O4S/c1-5-6-22-30-31-24(28)19(25(32)29-26(31)36-22)12-17-13-20(27)23(21(14-17)33-4)35-10-9-34-18-8-7-15(2)16(3)11-18/h7-8,11-14,28H,5-6,9-10H2,1-4H3/b19-12-,28-24?
InChIKey HHXMNUNASPUPGJ-XQWBAOJFSA-N
Mol Weight 527.04 g/mol
Molecular Formula C26H27ClN4O4S
Exact Mass 526.144154 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 HpJTTySXCvg
Name (6Z)-6-{3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-5-imino-2-propyl-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/C26H27ClN4O4S/c1-5-6-22-30-31-24(28)19(25(32)29-26(31)36-22)12-17-13-20(27)23(21(14-17)33-4)35-10-9-34-18-8-7-15(2)16(3)11-18/h7-8,11-14,28H,5-6,9-10H2,1-4H3/b19-12-,28-24?
InChIKey HHXMNUNASPUPGJ-XQWBAOJFSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7447
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: 127237; Labnumber: CEP2K-01773; VK_ID: VK-007451
Synonyms 6-{3-chloro-4-[2-(3,4-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-5-imino-2-propyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C