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3-((4-Acetylpiperazin-1-yl)methyl)phenyl acetate
SpectraBase Compound ID 6sU7iFvwnhL
InChI InChI=1S/C15H20N2O3/c1-12(18)17-8-6-16(7-9-17)11-14-4-3-5-15(10-14)20-13(2)19/h3-5,10H,6-9,11H2,1-2H3
InChIKey PFHPKRLZZOBZEZ-UHFFFAOYSA-N
Mol Weight 276.34 g/mol
Molecular Formula C15H20N2O3
Exact Mass 276.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GY1A4d0WhpY
Name 3-((4-Acetylpiperazin-1-yl)methyl)phenyl acetate
Comments Computed using HOSE algorithm
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Exact Mass 276.147392509 u
Formula C15H20N2O3
InChI InChI=1S/C15H20N2O3/c1-12(18)17-8-6-16(7-9-17)11-14-4-3-5-15(10-14)20-13(2)19/h3-5,10H,6-9,11H2,1-2H3
InChIKey PFHPKRLZZOBZEZ-UHFFFAOYSA-N
SMILES C1(=CC=CC(=C1)CN1CCN(CC1)C(C)=O)OC(=O)C