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2-methyl-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1(2H)-phthalazinone
SpectraBase Compound ID AhZmzVh2y9j
InChI InChI=1S/C21H23N3O3S/c1-15-10-11-16(14-19(15)28(26,27)24-12-6-3-7-13-24)20-17-8-4-5-9-18(17)21(25)23(2)22-20/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKey AGVVSMJUSMSCBA-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3X7drdMum6E
Name 2-methyl-4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1(2H)-phthalazinone
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.146012784 u
Formula C21H23N3O3S
InChI InChI=1S/C21H23N3O3S/c1-15-10-11-16(14-19(15)28(26,27)24-12-6-3-7-13-24)20-17-8-4-5-9-18(17)21(25)23(2)22-20/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKey AGVVSMJUSMSCBA-UHFFFAOYSA-N
Molecular Weight 397.493 g/mol
NMR Offset 18.5663
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2311
Solvent DMSO-d6
Source Vendor ID: NMR/12279172