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3-{[4-chloro-3-(trifluoromethyl)anilino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID B1TfDnx2N4Q
InChI InChI=1S/C16H13ClF3NO3/c17-11-4-3-9(6-10(11)16(18,19)20)21-14(22)12-7-1-2-8(5-7)13(12)15(23)24/h1-4,6-8,12-13H,5H2,(H,21,22)(H,23,24)
InChIKey HERQIAJKGCAMKP-UHFFFAOYSA-N
Mol Weight 359.73 g/mol
Molecular Formula C16H13ClF3NO3
Exact Mass 359.053605 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H35yr37iBsE
Name 3-{[4-chloro-3-(trifluoromethyl)anilino]carbonyl}bicyclo[2.2.1]hept-5-ene-2-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/C16H13ClF3NO3/c17-11-4-3-9(6-10(11)16(18,19)20)21-14(22)12-7-1-2-8(5-7)13(12)15(23)24/h1-4,6-8,12-13H,5H2,(H,21,22)(H,23,24)
InChIKey HERQIAJKGCAMKP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32945
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: 1911789; SBI_ID: SBI-032949
Temperature 318 °C