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2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]acetamide
SpectraBase Compound ID 7OEcNsgeLFY
InChI InChI=1S/C26H22N4O3S/c1-16-11-12-17(24-19-7-3-4-8-20(19)25(32)30(2)29-24)13-18(16)14-27-23(31)15-34-26-28-21-9-5-6-10-22(21)33-26/h3-13H,14-15H2,1-2H3,(H,27,31)
InChIKey KMQPCTDDWBEODE-UHFFFAOYSA-N
Mol Weight 470.55 g/mol
Molecular Formula C26H22N4O3S
Exact Mass 470.141262 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Azyfmw5KLSg
Name 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-methyl-5-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)benzyl]acetamide
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/C26H22N4O3S/c1-16-11-12-17(24-19-7-3-4-8-20(19)25(32)30(2)29-24)13-18(16)14-27-23(31)15-34-26-28-21-9-5-6-10-22(21)33-26/h3-13H,14-15H2,1-2H3,(H,27,31)
InChIKey KMQPCTDDWBEODE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5895
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: C94663; Labnumber: RRAZ1-3017; SBI_ID: SBI-005898
Temperature 318 °C