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2-[1-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenol

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2-[1-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
SpectraBase Compound ID 4a862fQNayd
InChI InChI=1S/C23H21ClN4O4/c1-2-27-13-16(24)22(26-27)23(30)28-18(15-5-3-4-6-19(15)29)12-17(25-28)14-7-8-20-21(11-14)32-10-9-31-20/h3-8,11,13,18,29H,2,9-10,12H2,1H3
InChIKey KQXCQRZJIHOAHK-UHFFFAOYSA-N
Mol Weight 452.9 g/mol
Molecular Formula C23H21ClN4O4
Exact Mass 452.125133 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KpAwacLHtY2
Name 2-[1-[(4-chloro-1-ethyl-1H-pyrazol-3-yl)carbonyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
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/C23H21ClN4O4/c1-2-27-13-16(24)22(26-27)23(30)28-18(15-5-3-4-6-19(15)29)12-17(25-28)14-7-8-20-21(11-14)32-10-9-31-20/h3-8,11,13,18,29H,2,9-10,12H2,1H3
InChIKey KQXCQRZJIHOAHK-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9017
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: UZI/1025346; Labnumber: Gbb0187; UZI_ID: UZI-009019
Temperature 308 °C