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N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
SpectraBase Compound ID EIM95Jo9God
InChI InChI=1S/C21H20N6O2S/c1-13-7-8-14(19-16-5-3-4-6-17(16)20(29)27(2)26-19)9-15(13)10-22-18(28)11-30-21-23-12-24-25-21/h3-9,12H,10-11H2,1-2H3,(H,22,28)(H,23,24,25)
InChIKey KNPWZKDMWFOXBU-UHFFFAOYSA-N
Mol Weight 420.49 g/mol
Molecular Formula C21H20N6O2S
Exact Mass 420.136845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FHJdFhR1Bym
Name N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
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/C21H20N6O2S/c1-13-7-8-14(19-16-5-3-4-6-17(16)20(29)27(2)26-19)9-15(13)10-22-18(28)11-30-21-23-12-24-25-21/h3-9,12H,10-11H2,1-2H3,(H,22,28)(H,23,24,25)
InChIKey KNPWZKDMWFOXBU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5896
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: C94664; Labnumber: RRAZ1-3018; SBI_ID: SBI-005899
Temperature 318 °C