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(E)-2-(1-hydroxybutyl)-3-iodo-2-tridecenoic acid ethyl ester
SpectraBase Compound ID I9IeVS79B0r
InChI InChI=1S/C19H35IO3/c1-4-7-8-9-10-11-12-13-15-16(20)18(17(21)14-5-2)19(22)23-6-3/h17,21H,4-15H2,1-3H3/b18-16+
InChIKey VIGOUBQSKYHBSJ-FBMGVBCBSA-N
Mol Weight 438.4 g/mol
Molecular Formula C19H35IO3
Exact Mass 438.16309 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BoRyhSJ8PiP
Name (E)-2-(1-hydroxybutyl)-3-iodo-2-tridecenoic acid ethyl ester
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Formula C19H35IO3
InChI InChI=1S/C19H35IO3/c1-4-7-8-9-10-11-12-13-15-16(20)18(17(21)14-5-2)19(22)23-6-3/h17,21H,4-15H2,1-3H3/b18-16+
InChIKey VIGOUBQSKYHBSJ-FBMGVBCBSA-N
Molecular Weight 438.390 g/mol
SMILES OC(\C(C(=O)OCC)=C\(I)CCCCCCCCCC)CCC
SPLASH splash10-0002-1019000000-7de08d6eacc0e529a751
Source of Spectrum J-57-6801-17
Synonyms (E)-2-(1-hydroxybutyl)-3-iodo-tridec-2-enoic acid ethyl ester Ethyl (E)-2-(1-hydroxybutyl)-3-iodo-tridec-2-enoate Ethyl (E)-3-iodanyl-2-(1-oxidanylbutyl)tridec-2-enoate
Wiley ID 1384017