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4-{[4-(3-{[(2-hydroxy-1,1-dimethylethyl)amino]sulfonyl}-4-methylphenyl)-1-phthalazinyl]amino}-N-methylbenzamide
SpectraBase Compound ID FhRxx3TUxGu
InChI InChI=1S/C27H29N5O4S/c1-17-9-10-19(15-23(17)37(35,36)32-27(2,3)16-33)24-21-7-5-6-8-22(21)25(31-30-24)29-20-13-11-18(12-14-20)26(34)28-4/h5-15,32-33H,16H2,1-4H3,(H,28,34)(H,29,31)
InChIKey LLYAJUYYTMXEHN-UHFFFAOYSA-N
Mol Weight 519.62 g/mol
Molecular Formula C27H29N5O4S
Exact Mass 519.194026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J1BMPn8MEWX
Name 4-{[4-(3-{[(2-hydroxy-1,1-dimethylethyl)amino]sulfonyl}-4-methylphenyl)-1-phthalazinyl]amino}-N-methylbenzamide
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/C27H29N5O4S/c1-17-9-10-19(15-23(17)37(35,36)32-27(2,3)16-33)24-21-7-5-6-8-22(21)25(31-30-24)29-20-13-11-18(12-14-20)26(34)28-4/h5-15,32-33H,16H2,1-4H3,(H,28,34)(H,29,31)
InChIKey LLYAJUYYTMXEHN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14979
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: C26508; Labnumber: RRAZ1-2384; SBI_ID: SBI-014982
Temperature 313 °C