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3-[(1S,3aS,7aR)-3-keto-1-(2-keto-2-phenyl-ethyl)-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]propionitrile
SpectraBase Compound ID IbvHT6mxfiq
InChI InChI=1S/C19H22N2O2/c20-11-6-12-21-17(13-18(22)14-7-2-1-3-8-14)15-9-4-5-10-16(15)19(21)23/h1-3,7-8,15-17H,4-6,9-10,12-13H2/t15-,16+,17+/m1/s1
InChIKey RYAMYRBWTIUBCT-IKGGRYGDSA-N
Mol Weight 310.4 g/mol
Molecular Formula C19H22N2O2
Exact Mass 310.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RF9mH05hhm
Name 3-[(1S,3aS,7aR)-3-keto-1-(2-keto-2-phenyl-ethyl)-3a,4,5,6,7,7a-hexahydro-1H-isoindol-2-yl]propionitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22N2O2
InChI InChI=1S/C19H22N2O2/c20-11-6-12-21-17(13-18(22)14-7-2-1-3-8-14)15-9-4-5-10-16(15)19(21)23/h1-3,7-8,15-17H,4-6,9-10,12-13H2/t15-,16+,17+/m1/s1
InChIKey RYAMYRBWTIUBCT-IKGGRYGDSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 310.396 g/mol
Source File Reference MHKO15409