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2-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
SpectraBase Compound ID HOqRBloRklu
InChI InChI=1S/C20H19ClFN3O2/c1-11-18(25-19(26)13-6-3-4-7-14(13)20(25)27)12(2)24(23-11)10-15-16(21)8-5-9-17(15)22/h3-5,8-9,13-14H,6-7,10H2,1-2H3
InChIKey NZCJMZNBLGLGAI-UHFFFAOYSA-N
Mol Weight 387.84 g/mol
Molecular Formula C20H19ClFN3O2
Exact Mass 387.114983 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 97SwZkNiGUt
Name 2-[1-(2-chloro-6-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
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/C20H19ClFN3O2/c1-11-18(25-19(26)13-6-3-4-7-14(13)20(25)27)12(2)24(23-11)10-15-16(21)8-5-9-17(15)22/h3-5,8-9,13-14H,6-7,10H2,1-2H3
InChIKey NZCJMZNBLGLGAI-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31836
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: 1843422; SBI_ID: SBI-031840
Temperature 315 °C