John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=KylNFbY0kJb SpectraBase Spectrum ID=1KW4mAceppb

(accessed ).
5-ACETYL-6-HYDROXY-6-(3-METHOXY-2-NITROPHENYL)-3-METHYLENE-2-HEXANONE;SYN-DIASTEREOMER
SpectraBase Compound ID KylNFbY0kJb
InChI InChI=1S/C16H19NO6/c1-9(10(2)18)8-13(11(3)19)16(20)12-6-5-7-14(23-4)15(12)17(21)22/h5-7,13,16,20H,1,8H2,2-4H3/t13-,16-/m0/s1
InChIKey AIMPDGJBMGUITA-BBRMVZONSA-N
Mol Weight 321.33 g/mol
Molecular Formula C16H19NO6
Exact Mass 321.121238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1KW4mAceppb
Name 5-ACETYL-6-HYDROXY-6-(3-METHOXY-2-NITROPHENYL)-3-METHYLENE-2-HEXANONE;SYN-DIASTEREOMER
Compound Number 5A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19NO6
InChI InChI=1S/C16H19NO6/c1-9(10(2)18)8-13(11(3)19)16(20)12-6-5-7-14(23-4)15(12)17(21)22/h5-7,13,16,20H,1,8H2,2-4H3/t13-,16-/m0/s1
InChIKey AIMPDGJBMGUITA-BBRMVZONSA-N
Literature Reference Author K.C.IDAHOSA,D.M.MOLEFE,V.E.PAKADE,M.E.BROWN,P.T.KAYE
Literature Reference Citation S.AFR.J.CHEM.,64,144(2011)
Molecular Weight 321.330 g/mol
Source File Reference UWIR4400
SpectraBase Batch ID 142kDCd98xu