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(3aS,7aR)-2-(2-chlorophenyl)-4,7-dimethyltetrahydro-1H-4,7-methanoisoindole-1,3,5(2H,4H)-trione

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(3aS,7aR)-2-(2-chlorophenyl)-4,7-dimethyltetrahydro-1H-4,7-methanoisoindole-1,3,5(2H,4H)-trione
SpectraBase Compound ID APsH6NYnyzs
InChI InChI=1S/C17H16ClNO3/c1-16-7-11(20)17(2,8-16)13-12(16)14(21)19(15(13)22)10-6-4-3-5-9(10)18/h3-6,12-13H,7-8H2,1-2H3/t12-,13-,16+,17+/m0/s1
InChIKey MDBKRUGEHSLJED-WRFANHODSA-N
Mol Weight 317.77 g/mol
Molecular Formula C17H16ClNO3
Exact Mass 317.081871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID iP2quZs0S4
Name (3aS,7aR)-2-(2-chlorophenyl)-4,7-dimethyltetrahydro-1H-4,7-methanoisoindole-1,3,5(2H,4H)-trione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.081871076 u
Formula C17H16ClNO3
InChI InChI=1S/C17H16ClNO3/c1-16-7-11(20)17(2,8-16)13-12(16)14(21)19(15(13)22)10-6-4-3-5-9(10)18/h3-6,12-13H,7-8H2,1-2H3/t12-,13-,16+,17+/m0/s1
InChIKey MDBKRUGEHSLJED-WRFANHODSA-N
Molecular Weight 317.772 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15716
Solvent DMSO-d6
Source Vendor ID: NMR/11220402; Lab Info: MMV; Lab Number: MMV-Z000239