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

*Links on SpectraBase are not permalinks.

butanoic acid, 2-[[[[(1,2-dihydro-4-oxo-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)methyl]methylamino]carbonothioyl]amino]-4-(methylthio)-, methyl ester, (2S)-

View entire compound with spectra: 1 NMR

butanoic acid, 2-[[[[(1,2-dihydro-4-oxo-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)methyl]methylamino]carbonothioyl]amino]-4-(methylthio)-, methyl ester, (2S)-
SpectraBase Compound ID KAQayHWxjZv
InChI InChI=1S/C20H25N3O3S2/c1-22(20(27)21-16(8-10-28-3)19(25)26-2)12-15-11-14-6-4-5-13-7-9-23(17(13)14)18(15)24/h4-6,11,16H,7-10,12H2,1-3H3,(H,21,27)
InChIKey RGXWJRNRPNLVHP-UHFFFAOYSA-N
Mol Weight 419.56 g/mol
Molecular Formula C20H25N3O3S2
Exact Mass 419.133734 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 5mJtjKfzXDd
Name butanoic acid, 2-[[[[(1,2-dihydro-4-oxo-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)methyl]methylamino]carbonothioyl]amino]-4-(methylthio)-, methyl ester, (2S)-
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/C20H25N3O3S2/c1-22(20(27)21-16(8-10-28-3)19(25)26-2)12-15-11-14-6-4-5-13-7-9-23(17(13)14)18(15)24/h4-6,11,16H,7-10,12H2,1-3H3,(H,21,27)
InChIKey RGXWJRNRPNLVHP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9637
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: F36059; Labnumber: NNA-V-24012