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

*Links on SpectraBase are not permalinks.
1-(2-methylbenzoyl)-4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}phenyl)piperazine
SpectraBase Compound ID 42qMHhjYBN
InChI InChI=1S/C29H29F3N6O5/c1-20-4-2-3-5-23(20)28(39)36-16-10-33(11-17-36)22-7-9-25(37(40)41)26(19-22)35-14-12-34(13-15-35)24-8-6-21(29(30,31)32)18-27(24)38(42)43/h2-9,18-19H,10-17H2,1H3
InChIKey HKNGFCDSSXGQNA-UHFFFAOYSA-N
Mol Weight 598.58 g/mol
Molecular Formula C29H29F3N6O5
Exact Mass 598.215153 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 FpOFeZWu29k
Name 1-(2-methylbenzoyl)-4-(4-nitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl}phenyl)piperazine
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/C29H29F3N6O5/c1-20-4-2-3-5-23(20)28(39)36-16-10-33(11-17-36)22-7-9-25(37(40)41)26(19-22)35-14-12-34(13-15-35)24-8-6-21(29(30,31)32)18-27(24)38(42)43/h2-9,18-19H,10-17H2,1H3
InChIKey HKNGFCDSSXGQNA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5924
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: NMR/11241386; Labnumber: LP-2501837; IOH_ID: IOH-005925