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

*Links on SpectraBase are not permalinks.

benzoic acid, 3-[5-[(Z)-[3-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]-, methyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 3-[5-[(Z)-[3-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]-, methyl ester
SpectraBase Compound ID 7rfTjFzTFQ
InChI InChI=1S/C20H15N5O6S/c1-10(26)22-16-17(24-31-23-16)25-18(27)15(32-20(25)21)9-13-6-7-14(30-13)11-4-3-5-12(8-11)19(28)29-2/h3-9,21H,1-2H3,(H,22,23,26)/b15-9-,21-20?
InChIKey AZCQWPYUKPWNMI-ZBSSJKHUSA-N
Mol Weight 453.43 g/mol
Molecular Formula C20H15N5O6S
Exact Mass 453.074304 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 GsuUj7CAwf6
Name benzoic acid, 3-[5-[(Z)-[3-[4-(acetylamino)-1,2,5-oxadiazol-3-yl]-2-imino-4-oxo-5-thiazolidinylidene]methyl]-2-furanyl]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.074304391 u
Formula C20H15N5O6S
InChI InChI=1S/C20H15N5O6S/c1-10(26)22-16-17(24-31-23-16)25-18(27)15(32-20(25)21)9-13-6-7-14(30-13)11-4-3-5-12(8-11)19(28)29-2/h3-9,21H,1-2H3,(H,22,23,26)/b15-9-,21-20?
InChIKey AZCQWPYUKPWNMI-ZBSSJKHUSA-N
Molecular Weight 453.429 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14643
Solvent DMSO-d6
Source Vendor ID: NMR/11210065; Lab Info: SAD; Lab Number: 8