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6-[(3-chloro-4-fluoroanilino)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID Hs510xQUWbW
InChI InChI=1S/C16H17ClFNO3/c1-8-5-11(12(16(21)22)6-9(8)2)15(20)19-10-3-4-14(18)13(17)7-10/h3-4,7,11-12H,5-6H2,1-2H3,(H,19,20)(H,21,22)
InChIKey ZSCYJINYFFACSA-UHFFFAOYSA-N
Mol Weight 325.77 g/mol
Molecular Formula C16H17ClFNO3
Exact Mass 325.088099 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3REO7y2KcBX
Name 6-[(3-chloro-4-fluoroanilino)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic 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/C16H17ClFNO3/c1-8-5-11(12(16(21)22)6-9(8)2)15(20)19-10-3-4-14(18)13(17)7-10/h3-4,7,11-12H,5-6H2,1-2H3,(H,19,20)(H,21,22)
InChIKey ZSCYJINYFFACSA-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15529
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/9686628; Labnumber: NSB-0098868; UZI_ID: UZI-015533
Temperature 308 °C