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2-[.alpha.-(N-Pyrrolidino)benzyl]-1-methyl-4-isopropylcyclohexan-3-one
SpectraBase Compound ID 4dYCXre2nAJ
InChI InChI=1S/C21H31NO/c1-15(2)18-12-11-16(3)19(21(18)23)20(22-13-7-8-14-22)17-9-5-4-6-10-17/h4-6,9-10,15-16,18-20H,7-8,11-14H2,1-3H3
InChIKey JDJGMXQPXJWNNW-UHFFFAOYSA-N
Mol Weight 313.49 g/mol
Molecular Formula C21H31NO
Exact Mass 313.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gcok3OQ0uwl
Name 2-[.alpha.-(N-Pyrrolidino)benzyl]-1-methyl-4-isopropylcyclohexan-3-one
Alternate Name(s) 6-isopropyl-3-methyl-2-[phenyl(1-pyrrolidinyl)methyl]cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO
InChI InChI=1S/C21H31NO/c1-15(2)18-12-11-16(3)19(21(18)23)20(22-13-7-8-14-22)17-9-5-4-6-10-17/h4-6,9-10,15-16,18-20H,7-8,11-14H2,1-3H3
InChIKey JDJGMXQPXJWNNW-UHFFFAOYSA-N
Molecular Weight 313.485 g/mol
SMILES C1(C(C(N2CCCC2)c2ccccc2)C(C)CCC1C(C)C)=O
SPLASH splash10-03dl-3920000000-476edf9a7aef6baedb97
Source of Spectrum D8-327-527-4
Wiley ID 1515365