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

*Links on SpectraBase are not permalinks.
2-thiophenecarboxylic acid, 4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl ester
SpectraBase Compound ID LOSNblD73ez
InChI InChI=1S/C21H18N4O4S2/c1-3-5-17-24-25-18(22)13(19(26)23-21(25)31-17)10-12-7-8-14(15(11-12)28-2)29-20(27)16-6-4-9-30-16/h4,6-11,22H,3,5H2,1-2H3/b13-10-,22-18?
InChIKey VAKQEDOWNGVWEI-CCPUYDQRSA-N
Mol Weight 454.52 g/mol
Molecular Formula C21H18N4O4S2
Exact Mass 454.076947 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 8vrqWqVpdVS
Name 2-thiophenecarboxylic acid, 4-[(Z)-(5-imino-7-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene)methyl]-2-methoxyphenyl ester
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/C21H18N4O4S2/c1-3-5-17-24-25-18(22)13(19(26)23-21(25)31-17)10-12-7-8-14(15(11-12)28-2)29-20(27)16-6-4-9-30-16/h4,6-11,22H,3,5H2,1-2H3/b13-10-,22-18?
InChIKey VAKQEDOWNGVWEI-CCPUYDQRSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1159
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: ZI/10033369; Labnumber: CEP-6700257