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10-(2-chlorophenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxylic acid
SpectraBase Compound ID JtD61HfswsA
InChI InChI=1S/C21H20ClNO2/c22-16-4-2-1-3-14(16)20-19-12-6-5-11(9-12)18(19)15-10-13(21(24)25)7-8-17(15)23-20/h1-4,7-8,10-12,18-20,23H,5-6,9H2,(H,24,25)
InChIKey MSLRJSCPYNQFKI-UHFFFAOYSA-N
Mol Weight 353.85 g/mol
Molecular Formula C21H20ClNO2
Exact Mass 353.118257 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EYpyM1R9la
Name 10-(2-chlorophenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-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/C21H20ClNO2/c22-16-4-2-1-3-14(16)20-19-12-6-5-11(9-12)18(19)15-10-13(21(24)25)7-8-17(15)23-20/h1-4,7-8,10-12,18-20,23H,5-6,9H2,(H,24,25)
InChIKey MSLRJSCPYNQFKI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_36052
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: E98650; SBI_ID: SBI-036056
Temperature 298 °C