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benzenemethanamine, N-[5-[4-[(3-fluoro-4-methoxyphenyl)sulfonyl]-1-piperazinyl]-2-nitrophenyl]-alpha-methyl-
SpectraBase Compound ID 3vfzIDPdHmY
InChI InChI=1S/C25H27FN4O5S/c1-18(19-6-4-3-5-7-19)27-23-16-20(8-10-24(23)30(31)32)28-12-14-29(15-13-28)36(33,34)21-9-11-25(35-2)22(26)17-21/h3-11,16-18,27H,12-15H2,1-2H3
InChIKey IELTWNYBYJVGSQ-UHFFFAOYSA-N
Mol Weight 514.57 g/mol
Molecular Formula C25H27FN4O5S
Exact Mass 514.168619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HBQb0YVNP9m
Name benzenemethanamine, N-[5-[4-[(3-fluoro-4-methoxyphenyl)sulfonyl]-1-piperazinyl]-2-nitrophenyl]-alpha-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.168619317 u
Formula C25H27FN4O5S
InChI InChI=1S/C25H27FN4O5S/c1-18(19-6-4-3-5-7-19)27-23-16-20(8-10-24(23)30(31)32)28-12-14-29(15-13-28)36(33,34)21-9-11-25(35-2)22(26)17-21/h3-11,16-18,27H,12-15H2,1-2H3
InChIKey IELTWNYBYJVGSQ-UHFFFAOYSA-N
Molecular Weight 514.572 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17277
Solvent DMSO-d6
Source Vendor ID: NMR/10301873; Lab Info: LP; Lab Number: LP-2101485