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[(1S,3R,4S,5R)-4-ACETYLAMINO-4-METHYL-5-PHENYL]-1,3-CYCLOPENTANEDIMETHANOL-DIACETATE

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[(1S,3R,4S,5R)-4-ACETYLAMINO-4-METHYL-5-PHENYL]-1,3-CYCLOPENTANEDIMETHANOL-DIACETATE
SpectraBase Compound ID 4HdCcA1F6Fg
InChI InChI=1S/C20H27NO5/c1-13(22)21-20(4)18(12-26-15(3)24)10-17(11-25-14(2)23)19(20)16-8-6-5-7-9-16/h5-9,17-19H,10-12H2,1-4H3,(H,21,22)/t17-,18+,19+,20-/m1/s1
InChIKey AYUIZVVYXSGNRT-FUMNGEBKSA-N
Mol Weight 361.44 g/mol
Molecular Formula C20H27NO5
Exact Mass 361.188923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7i05xBNaDbj
Name [(1S,3R,4S,5R)-4-ACETYLAMINO-4-METHYL-5-PHENYL]-1,3-CYCLOPENTANEDIMETHANOL-DIACETATE
Compound Number (-)-12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27NO5
InChI InChI=1S/C20H27NO5/c1-13(22)21-20(4)18(12-26-15(3)24)10-17(11-25-14(2)23)19(20)16-8-6-5-7-9-16/h5-9,17-19H,10-12H2,1-4H3,(H,21,22)/t17-,18+,19+,20-/m1/s1
InChIKey AYUIZVVYXSGNRT-FUMNGEBKSA-N
Literature Reference Author S.E.DENMARK,J.A.DIXON
Literature Reference Citation J.ORG.CHEM.,63,6178(1998)
Literature Reference DOI 10.1021/jo9802170
Molecular Weight 361.438 g/mol
Sample ID 28882
Solvent CDCl3