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

*Links on SpectraBase are not permalinks.
4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1-phthalazinamine
SpectraBase Compound ID 9NBROHkbkpN
InChI InChI=1S/C27H25F3N4O3S/c1-18-9-10-19(17-24(18)38(35,36)34-15-5-2-6-16-34)25-22-7-3-4-8-23(22)26(33-32-25)31-20-11-13-21(14-12-20)37-27(28,29)30/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,31,33)
InChIKey DQWZOHSHYAZGFU-UHFFFAOYSA-N
Mol Weight 542.58 g/mol
Molecular Formula C27H25F3N4O3S
Exact Mass 542.159946 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 43KdjQKIshr
Name 1-phthalazinamine, 4-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-N-[4-(trifluoromethoxy)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.159946341 u
Formula C27H25F3N4O3S
InChI InChI=1S/C27H25F3N4O3S/c1-18-9-10-19(17-24(18)38(35,36)34-15-5-2-6-16-34)25-22-7-3-4-8-23(22)26(33-32-25)31-20-11-13-21(14-12-20)37-27(28,29)30/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,31,33)
InChIKey DQWZOHSHYAZGFU-UHFFFAOYSA-N
Molecular Weight 542.577 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14792
Solvent DMSO-d6
Source Vendor ID: NMR/10310019; Lab Info: ZUB; Lab Number: ZUB-0000713