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1(2H)-phthalazinone, 2-[2-[5-mercapto-4-(5-quinolinyl)-4H-1,2,4-triazol-3-yl]ethyl]-
SpectraBase Compound ID 6HNdSizh4ag
InChI InChI=1S/C21H16N6OS/c28-20-15-6-2-1-5-14(15)13-23-26(20)12-10-19-24-25-21(29)27(19)18-9-3-8-17-16(18)7-4-11-22-17/h1-9,11,13H,10,12H2,(H,25,29)
InChIKey CEGJAFGBLHYBSK-UHFFFAOYSA-N
Mol Weight 400.46 g/mol
Molecular Formula C21H16N6OS
Exact Mass 400.11063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DQJWBfhNmDT
Name 1(2H)-phthalazinone, 2-[2-[5-mercapto-4-(5-quinolinyl)-4H-1,2,4-triazol-3-yl]ethyl]-
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/C21H16N6OS/c28-20-15-6-2-1-5-14(15)13-23-26(20)12-10-19-24-25-21(29)27(19)18-9-3-8-17-16(18)7-4-11-22-17/h1-9,11,13H,10,12H2,(H,25,29)
InChIKey CEGJAFGBLHYBSK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4854
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: F23336; Labnumber: NNOBK-9045