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

*Links on SpectraBase are not permalinks.
7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(2,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(2-methylpropyl)-, (6Z)-
SpectraBase Compound ID DEzn6EZ1Kzo
InChI InChI=1S/C27H29ClN4O4S/c1-15(2)10-23-31-32-25(29)19(26(33)30-27(32)37-23)12-18-13-20(28)24(22(14-18)34-5)36-9-8-35-21-7-6-16(3)11-17(21)4/h6-7,11-15,29H,8-10H2,1-5H3/b19-12-,29-25?
InChIKey ORXYFLGSJQWFCX-IQZWZXOTSA-N
Mol Weight 541.07 g/mol
Molecular Formula C27H29ClN4O4S
Exact Mass 540.159804 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 Bqn3NYPFI2G
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[3-chloro-4-[2-(2,4-dimethylphenoxy)ethoxy]-5-methoxyphenyl]methylene]-5,6-dihydro-5-imino-2-(2-methylpropyl)-, (6Z)-
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/C27H29ClN4O4S/c1-15(2)10-23-31-32-25(29)19(26(33)30-27(32)37-23)12-18-13-20(28)24(22(14-18)34-5)36-9-8-35-21-7-6-16(3)11-17(21)4/h6-7,11-15,29H,8-10H2,1-5H3/b19-12-,29-25?
InChIKey ORXYFLGSJQWFCX-IQZWZXOTSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2653
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: NMR/11269336