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(6RS,7SR)-6-(Iodoethyl)-4-oxahexanolide
SpectraBase Compound ID DdPXK2DXcFF
InChI InChI=1S/C7H11IO3/c1-5(8)6-4-10-3-2-7(9)11-6/h5-6H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey XVQQBFGMKZJQDB-NTSWFWBYSA-N
Mol Weight 270.07 g/mol
Molecular Formula C7H11IO3
Exact Mass 269.975289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59uP1rkBuOP
Name (6RS,7SR)-6-(Iodoethyl)-4-oxahexanolide
Alternate Name(s) (6RS,7RS)-6-(Iodoethyl)-4-oxahexanolide (6RS,7SR)-6-(1-Iodoethyl)-4-oxahexanolide (R)-3-((S)-1-Iodo-ethyl)-[1,4]dioxepan-5-one 3-(2-iodoethyl)-1,4-dioxepan-5-one (3R)-3-[(1S)-1-iodanylethyl]-1,4-dioxepan-5-one
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Formula C7H11IO3
InChI InChI=1S/C7H11IO3/c1-5(8)6-4-10-3-2-7(9)11-6/h5-6H,2-4H2,1H3/t5-,6+/m0/s1
InChIKey XVQQBFGMKZJQDB-NTSWFWBYSA-N
Molecular Weight 270.066 g/mol
SMILES C1(O[C@](COCC1)([C@@](I)(C)[H])[H])=O
SPLASH splash10-0abl-9000000000-aeeb23797d874cca4bb3
Source of Spectrum J-59-5917-3
Wiley ID 1273558