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isoquinoline, 1,2,3,4-tetrahydro-2-[[2-(1H-pyrrol-1-yl)-6-benzothiazolyl]carbonyl]-
SpectraBase Compound ID AYHOJ4yKlgL
InChI InChI=1S/C21H17N3OS/c25-20(24-12-9-15-5-1-2-6-17(15)14-24)16-7-8-18-19(13-16)26-21(22-18)23-10-3-4-11-23/h1-8,10-11,13H,9,12,14H2
InChIKey PBGKSLJOVQLZPD-UHFFFAOYSA-N
Mol Weight 359.45 g/mol
Molecular Formula C21H17N3OS
Exact Mass 359.109233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7D2YPpqvjHU
Name isoquinoline, 1,2,3,4-tetrahydro-2-[[2-(1H-pyrrol-1-yl)-6-benzothiazolyl]carbonyl]-
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/C21H17N3OS/c25-20(24-12-9-15-5-1-2-6-17(15)14-24)16-7-8-18-19(13-16)26-21(22-18)23-10-3-4-11-23/h1-8,10-11,13H,9,12,14H2
InChIKey PBGKSLJOVQLZPD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6131
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: F27205; Labnumber: ExLab-211139