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Methyl (E)-3-iodo-2-(1-hydroxyhexyl)prop-2-enoate
SpectraBase Compound ID B3Gkp01XqPI
InChI InChI=1S/C10H17IO3/c1-3-4-5-6-9(12)8(7-11)10(13)14-2/h7,9,12H,3-6H2,1-2H3/b8-7+
InChIKey QATWDXDLFJDWCZ-BQYQJAHWSA-N
Mol Weight 312.15 g/mol
Molecular Formula C10H17IO3
Exact Mass 312.022239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ive4eVSDQxb
Name Methyl (E)-3-iodo-2-(1-hydroxyhexyl)prop-2-enoate
Alternate Name(s) methyl (2E)-2-(1-hydroxyhexyl)-3-iodo-2-propenoate
Comments Less than 3 mono-isotopic peaks
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Formula C10H17IO3
InChI InChI=1S/C10H17IO3/c1-3-4-5-6-9(12)8(7-11)10(13)14-2/h7,9,12H,3-6H2,1-2H3/b8-7+
InChIKey QATWDXDLFJDWCZ-BQYQJAHWSA-N
Molecular Weight 312.147 g/mol
SMILES OC(\C(C(=O)OC)=C/I)CCCCC
SPLASH splash10-0006-0090000000-ffca9463018e33ca4f19
Source of Spectrum SO-0-587-3
Wiley ID 873691