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

*Links on SpectraBase are not permalinks.
4-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 6pJ2yrCyW19
InChI InChI=1S/C17H13ClN6O4/c1-9-13(17(25)23(22(9)2)10-6-4-3-5-7-10)19-12-8-11(18)14-15(21-28-20-14)16(12)24(26)27/h3-8,19H,1-2H3
InChIKey VEBFQFOWBNEFAP-UHFFFAOYSA-N
Mol Weight 400.78 g/mol
Molecular Formula C17H13ClN6O4
Exact Mass 400.068681 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 1divhuJ2UyV
Name 4-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
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/C17H13ClN6O4/c1-9-13(17(25)23(22(9)2)10-6-4-3-5-7-10)19-12-8-11(18)14-15(21-28-20-14)16(12)24(26)27/h3-8,19H,1-2H3
InChIKey VEBFQFOWBNEFAP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12257
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: D69094; Labnumber: LEVRSB-013; SBI_ID: SBI-012260
Temperature 306 °C