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2-[1-(p-Chlorobenzyl)-5-methoxy-2-methylindol-3-yl]cyclohexanone
SpectraBase Compound ID JPsYt0PsM6I
InChI InChI=1S/C23H24ClNO2/c1-15-23(19-5-3-4-6-22(19)26)20-13-18(27-2)11-12-21(20)25(15)14-16-7-9-17(24)10-8-16/h7-13,19H,3-6,14H2,1-2H3
InChIKey WNZQTXKASPJKQR-UHFFFAOYSA-N
Mol Weight 381.9 g/mol
Molecular Formula C23H24ClNO2
Exact Mass 381.149557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7F62mw49nZ
Name 2-[1-(p-Chlorobenzyl)-5-methoxy-2-methylindol-3-yl]cyclohexanone
Comments Computed using HOSE algorithm
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Exact Mass 381.149556715 u
Formula C23H24ClNO2
InChI InChI=1S/C23H24ClNO2/c1-15-23(19-5-3-4-6-22(19)26)20-13-18(27-2)11-12-21(20)25(15)14-16-7-9-17(24)10-8-16/h7-13,19H,3-6,14H2,1-2H3
InChIKey WNZQTXKASPJKQR-UHFFFAOYSA-N
Molecular Weight 381.903 g/mol
SMILES C=12C=C(C=CC1N(C(=C2C1C(CCCC1)=O)C)CC=1C=CC(=CC1)Cl)OC