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3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID 3HJp4cuhVes
InChI InChI=1S/C21H21N5O4S/c1-14-16-5-3-4-6-17(16)21-23-22-20(26(21)24-14)15-7-8-18(29-2)19(13-15)31(27,28)25-9-11-30-12-10-25/h3-8,13H,9-12H2,1-2H3
InChIKey CJWOTUJWWHZOHF-UHFFFAOYSA-N
Mol Weight 439.49 g/mol
Molecular Formula C21H21N5O4S
Exact Mass 439.131425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 65nQk2IeNDI
Name 3-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
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/C21H21N5O4S/c1-14-16-5-3-4-6-17(16)21-23-22-20(26(21)24-14)15-7-8-18(29-2)19(13-15)31(27,28)25-9-11-30-12-10-25/h3-8,13H,9-12H2,1-2H3
InChIKey CJWOTUJWWHZOHF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21264
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: D52554; Labnumber: RRAZ-1436; SBI_ID: SBI-021268
Synonyms methyl 4-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-(4-morpholinylsulfonyl)phenyl ether
Temperature 318 °C