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(+)-Methyl 3-iodo-4-{[(1R)-1-methylprop-2-yn-1-yl]oxy}benzoate
SpectraBase Compound ID Lf9M6yaqevB
InChI InChI=1S/C12H11IO3/c1-4-8(2)16-11-6-5-9(7-10(11)13)12(14)15-3/h1,5-8H,2-3H3/t8-/m1/s1
InChIKey FJQUIHOQNKDOTQ-MRVPVSSYSA-N
Mol Weight 330.12 g/mol
Molecular Formula C12H11IO3
Exact Mass 329.975289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wjM2MGOzrl
Name (+)-Methyl 3-iodo-4-{[(1R)-1-methylprop-2-yn-1-yl]oxy}benzoate
Alternate Name(s) Methyl (R)-4-(but-3-yn-2-yloxy)-3-iodobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11IO3
InChI InChI=1S/C12H11IO3/c1-4-8(2)16-11-6-5-9(7-10(11)13)12(14)15-3/h1,5-8H,2-3H3/t8-/m1/s1
InChIKey FJQUIHOQNKDOTQ-MRVPVSSYSA-N
Literature Reference DOI 10.1002/anie.201108307
Molecular Weight 330.121 g/mol
SMILES c1(C(=O)OC)ccc(O[C@@](C#C)(C)[H])c(c1)I
SPLASH splash10-014i-0229000000-1e252dd8a45f40015828
Source of Spectrum ACI-51-SMS22-45
Wiley ID 1780195