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3-[(4E)-4-(1,3-benzodioxol-5-ylmethylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID L5enkJqzEcx
InChI InChI=1S/C19H14N2O5/c1-11-15(7-12-5-6-16-17(8-12)26-10-25-16)18(22)21(20-11)14-4-2-3-13(9-14)19(23)24/h2-9H,10H2,1H3,(H,23,24)/b15-7+
InChIKey SDTALAAOTIVAGO-VIZOYTHASA-N
Mol Weight 350.33 g/mol
Molecular Formula C19H14N2O5
Exact Mass 350.090272 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3OFKkup58Cq
Name 3-[(4E)-4-(1,3-benzodioxol-5-ylmethylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
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/C19H14N2O5/c1-11-15(7-12-5-6-16-17(8-12)26-10-25-16)18(22)21(20-11)14-4-2-3-13(9-14)19(23)24/h2-9H,10H2,1H3,(H,23,24)/b15-7+
InChIKey SDTALAAOTIVAGO-VIZOYTHASA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_1568
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: ZI/8176986; Labnumber: SAD-e170229
Temperature 297 °C