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

*Links on SpectraBase are not permalinks.
4-[(E)-(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 4-chlorobenzoate
SpectraBase Compound ID 2RqIs5d8PID
InChI InChI=1S/C25H16ClN5O4S/c1-34-20-12-14(4-9-19(20)35-24(33)15-5-7-17(26)8-6-15)11-18-21(27)31-25(29-22(18)32)36-23(30-31)16-3-2-10-28-13-16/h2-13,27H,1H3/b18-11+,27-21?
InChIKey TYYZKQFHEAMZCM-DZCSLESKSA-N
Mol Weight 517.95 g/mol
Molecular Formula C25H16ClN5O4S
Exact Mass 517.061153 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 JI55CKhCdXI
Name 4-[(E)-(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 4-chlorobenzoate
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/C25H16ClN5O4S/c1-34-20-12-14(4-9-19(20)35-24(33)15-5-7-17(26)8-6-15)11-18-21(27)31-25(29-22(18)32)36-23(30-31)16-3-2-10-28-13-16/h2-13,27H,1H3/b18-11+,27-21?
InChIKey TYYZKQFHEAMZCM-DZCSLESKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19826
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: D14634; Labnumber: CEP5-0638; SBI_ID: SBI-019830
Synonyms 4-[(5-imino-7-oxo-2-(3-pyridinyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl 4-chlorobenzoate
Temperature 318 °C