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3-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-6-methyl[1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID KMkgM4F8JOP
InChI InChI=1S/C21H21N5O3S/c1-14-16-7-3-4-8-17(16)21-23-22-20(26(21)24-14)15-9-10-18(29-2)19(13-15)30(27,28)25-11-5-6-12-25/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKey LJBGFWCSYLYJPG-UHFFFAOYSA-N
Mol Weight 423.49 g/mol
Molecular Formula C21H21N5O3S
Exact Mass 423.136511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2OXtxjPucID
Name 3-[4-methoxy-3-(1-pyrrolidinylsulfonyl)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/C21H21N5O3S/c1-14-16-7-3-4-8-17(16)21-23-22-20(26(21)24-14)15-9-10-18(29-2)19(13-15)30(27,28)25-11-5-6-12-25/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKey LJBGFWCSYLYJPG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21271
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: D52563; Labnumber: RRAZ-1447; SBI_ID: SBI-021275
Synonyms methyl 4-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-(1-pyrrolidinylsulfonyl)phenyl ether
Temperature 318 °C