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7,8-Dihydro-1,3-dioxolo[4,5-G]isoquinolin-5-yl p-chlorophenyl ketone

View entire compound with spectra: 1 NMR, 1 Raman, and 2 UV-Vis

7,8-Dihydro-1,3-dioxolo[4,5-G]isoquinolin-5-yl p-chlorophenyl ketone
SpectraBase Compound ID LuD6aq6utpm
InChI InChI=1S/C17H12ClNO3/c18-12-3-1-10(2-4-12)17(20)16-13-8-15-14(21-9-22-15)7-11(13)5-6-19-16/h1-4,7-8H,5-6,9H2
InChIKey UENXXEDCJNTEOM-UHFFFAOYSA-N
Mol Weight 313.74 g/mol
Molecular Formula C17H12ClNO3
Exact Mass 313.050571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dhaPyRKVsk
Name 7,8-Dihydro-1,3-dioxolo[4,5-G]isoquinolin-5-yl p-chlorophenyl ketone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.050570947 u
Formula C17H12ClNO3
InChI InChI=1S/C17H12ClNO3/c18-12-3-1-10(2-4-12)17(20)16-13-8-15-14(21-9-22-15)7-11(13)5-6-19-16/h1-4,7-8H,5-6,9H2
InChIKey UENXXEDCJNTEOM-UHFFFAOYSA-N
Molecular Weight 313.740 g/mol
SMILES C=12C=C3OCOC3=CC1CCN=C2C(C=1C=CC(=CC1)Cl)=O