For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-{5-[4-(ethylsulfonyl)-1-piperazinyl]-2-nitrophenyl}-4-methyl-1(2H)-phthalazinone
SpectraBase Compound ID LtUHppQWGoS
InChI InChI=1S/C21H23N5O5S/c1-3-32(30,31)24-12-10-23(11-13-24)16-8-9-19(26(28)29)20(14-16)25-21(27)18-7-5-4-6-17(18)15(2)22-25/h4-9,14H,3,10-13H2,1-2H3
InChIKey FBCFKOBBOJCNDP-UHFFFAOYSA-N
Mol Weight 457.51 g/mol
Molecular Formula C21H23N5O5S
Exact Mass 457.14199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HSWWdXGtmqD
Name 2-{5-[4-(ethylsulfonyl)-1-piperazinyl]-2-nitrophenyl}-4-methyl-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 457.141990030 u
Formula C21H23N5O5S
InChI InChI=1S/C21H23N5O5S/c1-3-32(30,31)24-12-10-23(11-13-24)16-8-9-19(26(28)29)20(14-16)25-21(27)18-7-5-4-6-17(18)15(2)22-25/h4-9,14H,3,10-13H2,1-2H3
InChIKey FBCFKOBBOJCNDP-UHFFFAOYSA-N
Molecular Weight 457.505 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4045
Solvent DMSO-d6
Source Vendor ID: NMR/12308674