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2-methoxy-N-methyl-5-({4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl}amino)benzamide
SpectraBase Compound ID 5CNn5F8yMnP
InChI InChI=1S/C29H31N5O4S/c1-19-11-12-20(17-26(19)39(36,37)34-15-7-4-8-16-34)27-22-9-5-6-10-23(22)28(33-32-27)31-21-13-14-25(38-3)24(18-21)29(35)30-2/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3,(H,30,35)(H,31,33)
InChIKey JCPBSDHRECZPSI-UHFFFAOYSA-N
Mol Weight 545.66 g/mol
Molecular Formula C29H31N5O4S
Exact Mass 545.209676 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kykf5HoAeyB
Name 2-methoxy-N-methyl-5-({4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1-phthalazinyl}amino)benzamide
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/C29H31N5O4S/c1-19-11-12-20(17-26(19)39(36,37)34-15-7-4-8-16-34)27-22-9-5-6-10-23(22)28(33-32-27)31-21-13-14-25(38-3)24(18-21)29(35)30-2/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3,(H,30,35)(H,31,33)
InChIKey JCPBSDHRECZPSI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14996
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: C26527; Labnumber: RRAZ1-2406; SBI_ID: SBI-014999
Temperature 313 °C