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2-[.alpha.-(N-Morpholino)benzyl]-1-methyl-4-isopropylcyclohexan-3-one
SpectraBase Compound ID JOZpCCx2rEu
InChI InChI=1S/C21H31NO2/c1-15(2)18-10-9-16(3)19(21(18)23)20(17-7-5-4-6-8-17)22-11-13-24-14-12-22/h4-8,15-16,18-20H,9-14H2,1-3H3
InChIKey IJFBGVUDDCYNAP-UHFFFAOYSA-N
Mol Weight 329.48 g/mol
Molecular Formula C21H31NO2
Exact Mass 329.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aJTVnEGHlE
Name 2-[.alpha.-(N-Morpholino)benzyl]-1-methyl-4-isopropylcyclohexan-3-one
Alternate Name(s) 6-isopropyl-3-methyl-2-[4-morpholinyl(phenyl)methyl]cyclohexanone
Comments Less than 3 mono-isotopic peaks
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Formula C21H31NO2
InChI InChI=1S/C21H31NO2/c1-15(2)18-10-9-16(3)19(21(18)23)20(17-7-5-4-6-8-17)22-11-13-24-14-12-22/h4-8,15-16,18-20H,9-14H2,1-3H3
InChIKey IJFBGVUDDCYNAP-UHFFFAOYSA-N
Molecular Weight 329.484 g/mol
SMILES C1(C(C(N2CCOCC2)c2ccccc2)C(C)CCC1C(C)C)=O
SPLASH splash10-000i-0900000000-3dc15a9181ff36f79365
Source of Spectrum D8-327-527-4
Wiley ID 1515363