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1,3-butadiene-1,1,3-tricarbonitrile, 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-, (3E)-
SpectraBase Compound ID 14SN2R5Oob
InChI InChI=1S/C21H15ClN4O2/c1-27-20-9-15(8-16(10-23)21(26)17(11-24)12-25)4-7-19(20)28-13-14-2-5-18(22)6-3-14/h2-9H,13,26H2,1H3/b16-8-
InChIKey GWGZVURPCROBCA-PXNMLYILSA-N
Mol Weight 390.83 g/mol
Molecular Formula C21H15ClN4O2
Exact Mass 390.088353 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJb5dMluUo1
Name 1,3-butadiene-1,1,3-tricarbonitrile, 2-amino-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-, (3E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.088353437 u
Formula C21H15ClN4O2
InChI InChI=1S/C21H15ClN4O2/c1-27-20-9-15(8-16(10-23)21(26)17(11-24)12-25)4-7-19(20)28-13-14-2-5-18(22)6-3-14/h2-9H,13,26H2,1H3/b16-8-
InChIKey GWGZVURPCROBCA-PXNMLYILSA-N
Molecular Weight 390.830 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13171
Solvent DMSO-d6
Source Vendor ID: NMR/10301256; Lab Info: LP; Lab Number: LP-0340294