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[1,2,4]Triazolo[3,4-a]phthalazine, 3-[4-methoxy-3-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-6-methyl-
SpectraBase Compound ID IgqsbgtHYH5
InChI InChI=1S/C23H25N5O3S/c1-15-10-12-27(13-11-15)32(29,30)21-14-17(8-9-20(21)31-3)22-24-25-23-19-7-5-4-6-18(19)16(2)26-28(22)23/h4-9,14-15H,10-13H2,1-3H3
InChIKey YOQMBGNLRDCFTD-UHFFFAOYSA-N
Mol Weight 451.55 g/mol
Molecular Formula C23H25N5O3S
Exact Mass 451.167811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F7TPKgYm5je
Name 3-{4-methoxy-3-[(4-methyl-1-piperidinyl)sulfonyl]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/C23H25N5O3S/c1-15-10-12-27(13-11-15)32(29,30)21-14-17(8-9-20(21)31-3)22-24-25-23-19-7-5-4-6-18(19)16(2)26-28(22)23/h4-9,14-15H,10-13H2,1-3H3
InChIKey YOQMBGNLRDCFTD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21272
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: D52564; Labnumber: RRAZ-1448; SBI_ID: SBI-021276
Synonyms methyl 2-[(4-methyl-1-piperidinyl)sulfonyl]-4-(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl ether
Temperature 318 °C