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1H-azepine-1-propanenitrile, hexahydro-beta-imino-alpha-[[3-(trifluoromethyl)phenyl]hydrazono]-
SpectraBase Compound ID 18hEaRWEYsT
InChI InChI=1S/C16H18F3N5/c17-16(18,19)12-6-5-7-13(10-12)22-23-14(11-20)15(21)24-8-3-1-2-4-9-24/h5-7,10,21-22H,1-4,8-9H2/b21-15?,23-14+
InChIKey PSGNNTYCJFBNFH-DPMNZDDBSA-N
Mol Weight 337.35 g/mol
Molecular Formula C16H18F3N5
Exact Mass 337.15143 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Zo5l5ACkLF
Name 1H-azepine-1-propanenitrile, hexahydro-beta-imino-alpha-[[3-(trifluoromethyl)phenyl]hydrazono]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.151430089 u
Formula C16H18F3N5
InChI InChI=1S/C16H18F3N5/c17-16(18,19)12-6-5-7-13(10-12)22-23-14(11-20)15(21)24-8-3-1-2-4-9-24/h5-7,10,21-22H,1-4,8-9H2/b21-15?,23-14+
InChIKey PSGNNTYCJFBNFH-DPMNZDDBSA-N
Molecular Weight 337.350 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_693
Solvent DMSO-d6
Source Vendor ID: NMR/9215215; Lab Info: NVN; Lab Number: NVN-0000345