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acetamide, 2-[4-[[4-[4-methyl-3-[[(2-pyridinylmethyl)amino]sulfonyl]phenyl]-1-phthalazinyl]amino]phenoxy]-
SpectraBase Compound ID 2Rd9MqHLcg3
InChI InChI=1S/C29H26N6O4S/c1-19-9-10-20(16-26(19)40(37,38)32-17-22-6-4-5-15-31-22)28-24-7-2-3-8-25(24)29(35-34-28)33-21-11-13-23(14-12-21)39-18-27(30)36/h2-16,32H,17-18H2,1H3,(H2,30,36)(H,33,35)
InChIKey RSPVEOYNXHTSDP-UHFFFAOYSA-N
Mol Weight 554.63 g/mol
Molecular Formula C29H26N6O4S
Exact Mass 554.173625 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CXY1rQhYLgc
Name acetamide, 2-[4-[[4-[4-methyl-3-[[(2-pyridinylmethyl)amino]sulfonyl]phenyl]-1-phthalazinyl]amino]phenoxy]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.173624511 u
Formula C29H26N6O4S
InChI InChI=1S/C29H26N6O4S/c1-19-9-10-20(16-26(19)40(37,38)32-17-22-6-4-5-15-31-22)28-24-7-2-3-8-25(24)29(35-34-28)33-21-11-13-23(14-12-21)39-18-27(30)36/h2-16,32H,17-18H2,1H3,(H2,30,36)(H,33,35)
InChIKey RSPVEOYNXHTSDP-UHFFFAOYSA-N
Molecular Weight 554.625 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15042
Solvent DMSO-d6
Source Vendor ID: NMR/11220769; Lab Info: ZUB; Lab Number: ZUB-0103004