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2-(m-Chlorobenzoyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
SpectraBase Compound ID 5b2KfjOo3Eb
InChI InChI=1S/C19H17ClN2O2/c20-15-6-3-5-14(10-15)19(24)21-11-17-16-7-2-1-4-13(16)8-9-22(17)18(23)12-21/h1-7,10,17H,8-9,11-12H2
InChIKey QTYVIAVOEDFERS-UHFFFAOYSA-N
Mol Weight 340.81 g/mol
Molecular Formula C19H17ClN2O2
Exact Mass 340.097855 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WzrzRi31jC
Name 2-(m-Chlorobenzoyl)-1,2,3,6,7,11B-hexahydro-4H-pyrazino[2,1-A]isoquinolin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.097855493 u
Formula C19H17ClN2O2
InChI InChI=1S/C19H17ClN2O2/c20-15-6-3-5-14(10-15)19(24)21-11-17-16-7-2-1-4-13(16)8-9-22(17)18(23)12-21/h1-7,10,17H,8-9,11-12H2
InChIKey QTYVIAVOEDFERS-UHFFFAOYSA-N
Molecular Weight 340.810 g/mol
SMILES C(N1CC2C3=C(C=CC=C3)CCN2C(C1)=O)(C=1C=C(Cl)C=CC1)=O