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18-BROMO-(9E,13E,17E)-OCTADECA-9,13,17-TRIENE-5,7,15-TRIYNOIC-ACID
SpectraBase Compound ID 3WzajSy6HzP
InChI InChI=1S/C18H17BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,7,9,15,17H,3,5,12,14,16H2,(H,20,21)/b2-1+,9-7+,17-15+
InChIKey KQTFPHGJDWNEQY-TYHBFTGESA-N
Mol Weight 345.24 g/mol
Molecular Formula C18H17BrO2
Exact Mass 344.041193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5BKcer7Sxl
Name 18-BROMO-(9E,13E,17E)-OCTADECA-9,13,17-TRIENE-5,7,15-TRIYNOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17BrO2
InChI InChI=1S/C18H17BrO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,7,9,15,17H,3,5,12,14,16H2,(H,20,21)/b2-1+,9-7+,17-15+
InChIKey KQTFPHGJDWNEQY-TYHBFTGESA-N
Literature Reference Author A.D.PATIL,W.C.KOKKE,S.COCHRAN,T.A.FRANCIS,T.TOMSZEK,J.W.WEST LEY
Literature Reference Citation J.NAT.PROD.,55,1170(1992)
Literature Reference DOI 10.1021/np50087a002
Molecular Weight 345.236 g/mol
Solvent CD3OD
Source File Reference UWTS500