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6-methyl-3-[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl][1,2,4]triazolo[3,4-a]phthalazine
SpectraBase Compound ID Eueb5cDp0gw
InChI InChI=1S/C21H21N5O2S/c1-14-9-10-16(29(27,28)25-11-5-6-12-25)13-19(14)21-23-22-20-18-8-4-3-7-17(18)15(2)24-26(20)21/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKey URDPPZKSHUYRES-UHFFFAOYSA-N
Mol Weight 407.49 g/mol
Molecular Formula C21H21N5O2S
Exact Mass 407.141596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DpJyXRVaqvQ
Name 6-methyl-3-[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl][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/C21H21N5O2S/c1-14-9-10-16(29(27,28)25-11-5-6-12-25)13-19(14)21-23-22-20-18-8-4-3-7-17(18)15(2)24-26(20)21/h3-4,7-10,13H,5-6,11-12H2,1-2H3
InChIKey URDPPZKSHUYRES-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24822
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: D48836; Labnumber: RRAZ-1393; SBI_ID: SBI-024826
Temperature 318 °C