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5-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole

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5-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole
SpectraBase Compound ID 2PP5J26GQ7m
InChI InChI=1S/C18H18N2O4S/c1-12-3-5-13(6-4-12)15-10-16(20(19-15)25(2,21)22)14-7-8-17-18(9-14)24-11-23-17/h3-9,16H,10-11H2,1-2H3
InChIKey NCISHZUBYKBAOU-UHFFFAOYSA-N
Mol Weight 358.41 g/mol
Molecular Formula C18H18N2O4S
Exact Mass 358.098728 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DOJl6YCePB3
Name 5-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-1-(methylsulfonyl)-4,5-dihydro-1H-pyrazole
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/C18H18N2O4S/c1-12-3-5-13(6-4-12)15-10-16(20(19-15)25(2,21)22)14-7-8-17-18(9-14)24-11-23-17/h3-9,16H,10-11H2,1-2H3
InChIKey NCISHZUBYKBAOU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2461
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: D03047; Labnumber: EXVost5-0123; SBI_ID: SBI-002463
Temperature 303 °C