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4-(4-methylphenyl)-2-[(5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-1(2H)-phthalazinone
SpectraBase Compound ID AQbD4R90yh
InChI InChI=1S/C18H15N5OS/c1-11-6-8-12(9-7-11)16-13-4-2-3-5-14(13)17(24)23(22-16)10-15-19-18(25)21-20-15/h2-9H,10H2,1H3,(H2,19,20,21,25)
InChIKey BETZMJBKDDXQIV-UHFFFAOYSA-N
Mol Weight 349.41 g/mol
Molecular Formula C18H15N5OS
Exact Mass 349.099731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7bUCHjb6ekE
Name 4-(4-methylphenyl)-2-[(5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]-1(2H)-phthalazinone
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/C18H15N5OS/c1-11-6-8-12(9-7-11)16-13-4-2-3-5-14(13)17(24)23(22-16)10-15-19-18(25)21-20-15/h2-9H,10H2,1H3,(H2,19,20,21,25)
InChIKey BETZMJBKDDXQIV-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14306
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: 766/555753; Labnumber: 766/555753218888; VK_ID: VK-014311
Temperature 308 °C