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1-Butyl-3-[(1'-hydroxycyclohexyl)carbonyl]-4-methyl-5-phenylpyrrolidin-2-one
SpectraBase Compound ID IibKyYEaFQV
InChI InChI=1S/C22H31NO3/c1-3-4-15-23-19(17-11-7-5-8-12-17)16(2)18(21(23)25)20(24)22(26)13-9-6-10-14-22/h5,7-8,11-12,16,18-19,26H,3-4,6,9-10,13-15H2,1-2H3
InChIKey FRVURERDXUIFBM-UHFFFAOYSA-N
Mol Weight 357.49 g/mol
Molecular Formula C22H31NO3
Exact Mass 357.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IsaeguIldkh
Name 1-Butyl-3-[(1'-hydroxycyclohexyl)carbonyl]-4-methyl-5-phenylpyrrolidin-2-one
Alternate Name(s) 1-butyl-3-[(1-hydroxycyclohexyl)carbonyl]-4-methyl-5-phenyl-2-pyrrolidinone
Comments Less than 3 mono-isotopic peaks
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Formula C22H31NO3
InChI InChI=1S/C22H31NO3/c1-3-4-15-23-19(17-11-7-5-8-12-17)16(2)18(21(23)25)20(24)22(26)13-9-6-10-14-22/h5,7-8,11-12,16,18-19,26H,3-4,6,9-10,13-15H2,1-2H3
InChIKey FRVURERDXUIFBM-UHFFFAOYSA-N
Molecular Weight 357.494 g/mol
SMILES OC1(C(C2C(N(C(c3ccccc3)C2C)CCCC)=O)=O)CCCCC1
SPLASH splash10-001i-0090000000-8033cf9260bfa29752b6
Source of Spectrum Y1-46-5461-3
Wiley ID 1622599