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3-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-2H-chromen-2-one
SpectraBase Compound ID JstPVGIMdH0
InChI InChI=1S/C22H20ClNO3/c23-18-6-7-20-17(13-18)14-19(22(26)27-20)21(25)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2
InChIKey NLCULEHLMWSRCG-UHFFFAOYSA-N
Mol Weight 381.86 g/mol
Molecular Formula C22H20ClNO3
Exact Mass 381.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADmlekOxsrH
Name 3-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-2H-chromen-2-one
Alternate Name(s) 6-Chloro-3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-benzopyran-2-one 3-(4-benzylpiperidine-1-carbonyl)-6-chlorochromen-2-one 3-(4-benzylpiperidine-1-carbonyl)-6-chloro-chromen-2-one 6-Chloranyl-3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-chromen-2-one
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Formula C22H20ClNO3
InChI InChI=1S/C22H20ClNO3/c23-18-6-7-20-17(13-18)14-19(22(26)27-20)21(25)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2
InChIKey NLCULEHLMWSRCG-UHFFFAOYSA-N
Molecular Weight 381.859 g/mol
SMILES C=1(C(Oc2ccc(cc2C1)Cl)=O)C(N1CCC(Cc2ccccc2)CC1)=O
SPLASH splash10-00di-8910000000-5bf5b470fa055fae9166
Source of Spectrum IY-2-5210-2
Wiley ID 1660085