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cis-2-benzyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(4H)one
SpectraBase Compound ID F5QSdUqrWaJ
InChI InChI=1S/C18H18N2O/c21-18-15-9-5-4-8-14(15)16-11-20(12-17(16)19-18)10-13-6-2-1-3-7-13/h1-9,16-17H,10-12H2,(H,19,21)/t16-,17-/s2
InChIKey JMRLHSVKVPIYKC-RXQGYGPJSA-N
Mol Weight 278.35 g/mol
Molecular Formula C18H18N2O
Exact Mass 278.141913 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82aaXnuNlJQ
Name cis-2-BENZYL-2,3,3a,9b-TETRAHYDRO-1H-PYRROLO[3,4-c]ISOQUINOLIN-5(4H)-ONE
Source of Sample R. Achini, Sandoz Ltd., Basel, Switzerland
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O
InChI InChI=1S/C18H18N2O/c21-18-15-9-5-4-8-14(15)16-11-20(12-17(16)19-18)10-13-6-2-1-3-7-13/h1-9,16-17H,10-12H2,(H,19,21)/t16-,17-/s2
InChIKey JMRLHSVKVPIYKC-RXQGYGPJSA-N
Melting Point 159-161C
Molecular Weight 278.36
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 1H-PYRROLO/3,4-C/ISOQUINOLIN-5/4H/- ONE, 2-BENZYL-2,3,3A,9B-TETRAHYDRO-,