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Prepacifenol - epoxide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Prepacifenol - epoxide
SpectraBase Compound ID Iha8mbpF9mS
InChI InChI=1S/C15H21Br2ClO3/c1-11(2)14(5-7(16)12(3,18)6-8(14)19)13(4)9(20-13)10-15(11,17)21-10/h7-10,19H,5-6H2,1-4H3/t7-,8-,9+,10+,12-,13+,14?,15+/m0/s1
InChIKey AHEAISCIGHPMGI-SOYULLERSA-N
Mol Weight 444.59 g/mol
Molecular Formula C15H21Br2ClO3
Exact Mass 441.954598 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LtYTYJWaV29
Name PREPACIFENOL-EPOXIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21Br2ClO3
InChI InChI=1S/C15H21Br2ClO3/c1-11(2)14(5-7(16)12(3,18)6-8(14)19)13(4)9(20-13)10-15(11,17)21-10/h7-10,19H,5-6H2,1-4H3/t7-,8-,9+,10+,12-,13+,14?,15+/m0/s1
InChIKey AHEAISCIGHPMGI-SOYULLERSA-N
Literature Reference Author K.L.MCPHAIL,M.T.DAVIES-COLEMAN,R.C.B.COPLEY,D.S.EGGLESTON
Literature Reference Citation J.NAT.PROD.,62,1618(1999)
Literature Reference DOI 10.1021/np990229w
Molecular Weight 444.591 g/mol
Solvent CDCl3
Source File Reference UWRU506