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XZZSBUTXHBPVTJ-UHFFFAOYSA-M

View entire compound with spectra: 1 NMR

XZZSBUTXHBPVTJ-UHFFFAOYSA-M
SpectraBase Compound ID 3zb6xuqcFJh
InChI InChI=1S/C12H18Br2NO.C2HF3O2/c1-15(2,3)6-5-9-7-10(13)12(16-4)11(14)8-9;3-2(4,5)1(6)7/h7-8H,5-6H2,1-4H3;(H,6,7)/q+1;/p-1
InChIKey XZZSBUTXHBPVTJ-UHFFFAOYSA-M
Mol Weight 465.105 g/mol
Molecular Formula C14H18Br2F3NO3
Exact Mass 462.960554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cdnPv78zYE
Name XZZSBUTXHBPVTJ-UHFFFAOYSA-M
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18Br2F3NO3
InChI InChI=1S/C12H18Br2NO.C2HF3O2/c1-15(2,3)6-5-9-7-10(13)12(16-4)11(14)8-9;3-2(4,5)1(6)7/h7-8H,5-6H2,1-4H3;(H,6,7)/q+1;/p-1
InChIKey XZZSBUTXHBPVTJ-UHFFFAOYSA-M
Literature Reference Author P.CIMINIELLO,E.FATTORUSSO,S.MAGNO,M.PANSINI
Literature Reference Citation J.NAT.PROD.,57,1564(1994)
Literature Reference DOI 10.1021/np50113a016
Molecular Weight 465.105 g/mol
Solvent CD3OD
Source File Reference UWVP3266