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6-Chloranyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one
SpectraBase Compound ID 7BY6mNb2uWh
InChI InChI=1S/C21H24ClN3O2/c22-17-7-8-20-19(15-17)25(21(26)16-27-20)10-4-9-23-11-13-24(14-12-23)18-5-2-1-3-6-18/h1-3,5-8,15H,4,9-14,16H2
InChIKey FZPKPXGYBZPSBS-UHFFFAOYSA-N
Mol Weight 385.9 g/mol
Molecular Formula C21H24ClN3O2
Exact Mass 385.155705 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2N7nkm9AB8Z
Name 6-Chloranyl-4-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-benzoxazin-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 385.155704723 u
Formula C21H24ClN3O2
InChI InChI=1S/C21H24ClN3O2/c22-17-7-8-20-19(15-17)25(21(26)16-27-20)10-4-9-23-11-13-24(14-12-23)18-5-2-1-3-6-18/h1-3,5-8,15H,4,9-14,16H2
InChIKey FZPKPXGYBZPSBS-UHFFFAOYSA-N
Molecular Weight 385.895 g/mol
SMILES C=12N(C(COC2=CC=C(C1)Cl)=O)CCCN1CCN(CC1)C1=CC=CC=C1