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

*Links on SpectraBase are not permalinks.

1,3-benzenedicarboxylic acid, 5-[[1-oxo-3-(2-thioxo-3(2H)-benzoxazolyl)propyl]amino]-, dimethyl ester

View entire compound with spectra: 1 NMR

1,3-benzenedicarboxylic acid, 5-[[1-oxo-3-(2-thioxo-3(2H)-benzoxazolyl)propyl]amino]-, dimethyl ester
SpectraBase Compound ID DvhCqnhkPPj
InChI InChI=1S/C20H18N2O6S/c1-26-18(24)12-9-13(19(25)27-2)11-14(10-12)21-17(23)7-8-22-15-5-3-4-6-16(15)28-20(22)29/h3-6,9-11H,7-8H2,1-2H3,(H,21,23)
InChIKey VEGXUVGWCQOZCI-UHFFFAOYSA-N
Mol Weight 414.43 g/mol
Molecular Formula C20H18N2O6S
Exact Mass 414.088557 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 6pQyndaVUOc
Name 1,3-benzenedicarboxylic acid, 5-[[1-oxo-3-(2-thioxo-3(2H)-benzoxazolyl)propyl]amino]-, dimethyl 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/C20H18N2O6S/c1-26-18(24)12-9-13(19(25)27-2)11-14(10-12)21-17(23)7-8-22-15-5-3-4-6-16(15)28-20(22)29/h3-6,9-11H,7-8H2,1-2H3,(H,21,23)
InChIKey VEGXUVGWCQOZCI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_5507
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/11288312