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4H-1-benzopyran-3-carbonitrile, 2-amino-4-(2-chloro-5-nitrophenyl)-5,6,7,8-tetrahydro-5-oxo-
SpectraBase Compound ID A1KMTMm0mAe
InChI InChI=1S/C16H12ClN3O4/c17-11-5-4-8(20(22)23)6-9(11)14-10(7-18)16(19)24-13-3-1-2-12(21)15(13)14/h4-6,14H,1-3,19H2
InChIKey NCROOISRKDCTFQ-UHFFFAOYSA-N
Mol Weight 345.74 g/mol
Molecular Formula C16H12ClN3O4
Exact Mass 345.051634 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cnv3gqeQiMs
Name 4H-1-benzopyran-3-carbonitrile, 2-amino-4-(2-chloro-5-nitrophenyl)-5,6,7,8-tetrahydro-5-oxo-
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/C16H12ClN3O4/c17-11-5-4-8(20(22)23)6-9(11)14-10(7-18)16(19)24-13-3-1-2-12(21)15(13)14/h4-6,14H,1-3,19H2
InChIKey NCROOISRKDCTFQ-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6575
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: TSH/5633056; IOH_ID: IOH-013579
Temperature 297 °C