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

*Links on SpectraBase are not permalinks.

1H-indole-2-carboxylic acid, 4-methoxy-3-[[(Z)-(tetrahydro-1-(1-methylpropyl)-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR

1H-indole-2-carboxylic acid, 4-methoxy-3-[[(Z)-(tetrahydro-1-(1-methylpropyl)-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]amino]-, methyl ester
SpectraBase Compound ID 9ZtjGhu24oe
InChI InChI=1S/C20H22N4O5S/c1-5-10(2)24-18(26)11(17(25)23-20(24)30)9-21-15-14-12(7-6-8-13(14)28-3)22-16(15)19(27)29-4/h6-10,21-22H,5H2,1-4H3,(H,23,25,30)/b11-9-
InChIKey JTQGCTLMIQMECJ-LUAWRHEFSA-N
Mol Weight 430.48 g/mol
Molecular Formula C20H22N4O5S
Exact Mass 430.131091 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 KkP44KKr8GF
Name 1H-indole-2-carboxylic acid, 4-methoxy-3-[[(Z)-(tetrahydro-1-(1-methylpropyl)-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl]amino]-, methyl 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/C20H22N4O5S/c1-5-10(2)24-18(26)11(17(25)23-20(24)30)9-21-15-14-12(7-6-8-13(14)28-3)22-16(15)19(27)29-4/h6-10,21-22H,5H2,1-4H3,(H,23,25,30)/b11-9-
InChIKey JTQGCTLMIQMECJ-LUAWRHEFSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_203
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: F03255; Labnumber: KV-05-054-0965