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

*Links on SpectraBase are not permalinks.

4-Methyl-3-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-Methyl-3-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid
SpectraBase Compound ID DiHZOViEz0R
InChI InChI=1S/C13H11NO4/c1-7-3-4-9(13(17)18)6-10(7)14-11(15)5-8(2)12(14)16/h3-6H,1-2H3,(H,17,18)
InChIKey YXHMXXBDBSEGIW-UHFFFAOYSA-N
Mol Weight 245.23 g/mol
Molecular Formula C13H11NO4
Exact Mass 245.068808 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 IYbQfzIxMuU
Name benzoic acid, 3-(2,5-dihydro-3-methyl-2,5-dioxo-1H-pyrrol-1-yl)-4-methyl-
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/C13H11NO4/c1-7-3-4-9(13(17)18)6-10(7)14-11(15)5-8(2)12(14)16/h3-6H,1-2H3,(H,17,18)
InChIKey YXHMXXBDBSEGIW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7940
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: ZERO/003011; IOH_ID: IOH-014945