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N-Carbobenzoxy-3-fluoro-4-(N-carbobenzoxypiperazinyl)aniline

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N-Carbobenzoxy-3-fluoro-4-(N-carbobenzoxypiperazinyl)aniline
SpectraBase Compound ID AuCm2wpjaWR
InChI InChI=1S/C26H26FN3O4/c27-23-17-22(28-25(31)33-18-20-7-3-1-4-8-20)11-12-24(23)29-13-15-30(16-14-29)26(32)34-19-21-9-5-2-6-10-21/h1-12,17H,13-16,18-19H2,(H,28,31)
InChIKey OPWCRBOOVRSYHY-UHFFFAOYSA-N
Mol Weight 463.51 g/mol
Molecular Formula C26H26FN3O4
Exact Mass 463.190734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KamFxR4NgY
Name N-Carbobenzoxy-3-fluoro-4-(N-carbobenzoxypiperazinyl)aniline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.190734488 u
Formula C26H26FN3O4
InChI InChI=1S/C26H26FN3O4/c27-23-17-22(28-25(31)33-18-20-7-3-1-4-8-20)11-12-24(23)29-13-15-30(16-14-29)26(32)34-19-21-9-5-2-6-10-21/h1-12,17H,13-16,18-19H2,(H,28,31)
InChIKey OPWCRBOOVRSYHY-UHFFFAOYSA-N
Molecular Weight 463.509 g/mol
SMILES C(N1CCN(CC1)C=1C(=CC(NC(=O)OCC2=CC=CC=C2)=CC1)F)(OCC1=CC=CC=C1)=O