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(E)-N-(2-ketoazepan-3-yl)-3-methyl-5-[(1S,6R)-1,2,6-trimethyl-1-cyclohex-2-enyl]pent-2-enamide
SpectraBase Compound ID 1aDK4qQKzTk
InChI InChI=1S/C21H34N2O2/c1-15(11-12-21(4)16(2)8-7-9-17(21)3)14-19(24)23-18-10-5-6-13-22-20(18)25/h8,14,17-18H,5-7,9-13H2,1-4H3,(H,22,25)(H,23,24)/b15-14+/t17-,18?,21-/m1/s1
InChIKey ZVDZALYKOIJILQ-FBGLRZCMSA-N
Mol Weight 346.5 g/mol
Molecular Formula C21H34N2O2
Exact Mass 346.262028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KTMY3iyspR
Name (E)-N-(2-ketoazepan-3-yl)-3-methyl-5-[(1S,6R)-1,2,6-trimethyl-1-cyclohex-2-enyl]pent-2-enamide
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34N2O2
InChI InChI=1S/C21H34N2O2/c1-15(11-12-21(4)16(2)8-7-9-17(21)3)14-19(24)23-18-10-5-6-13-22-20(18)25/h8,14,17-18H,5-7,9-13H2,1-4H3,(H,22,25)(H,23,24)/b15-14+/t17-,18?,21-/m1/s1
InChIKey ZVDZALYKOIJILQ-FBGLRZCMSA-N
Literature Reference Author K.B.KILLDAY,R.LONGLEY,P.J.MCCARTHY,S.A.POMPONI,A.E.WRIGHT,R. F.NEALE,M.A.SILLS
Literature Reference Citation J.NAT.PROD.,56,500(1993)
Literature Reference DOI 10.1021/np50094a008
Molecular Weight 346.513 g/mol
Solvent CDCl3
Source File Reference UWTS1212