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(S)-(-)-2-(4'-iodophenyl)propanoic acid
SpectraBase Compound ID 751s1LDq9FD
InChI InChI=1S/C9H9IO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)/t6-/m0/s1
InChIKey RMPXUPUAZGKDBN-LURJTMIESA-N
Mol Weight 276.07 g/mol
Molecular Formula C9H9IO2
Exact Mass 275.964725 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DSLgLEpT2Nm
Name (S)-(-)-2-(4'-iodophenyl)propanoic acid
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 275.964724528 u
Formula C9H9IO2
InChI InChI=1S/C9H9IO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)/t6-/m0/s1
InChIKey RMPXUPUAZGKDBN-LURJTMIESA-N
Molecular Weight 276.073 g/mol
SMILES C([C@](C=1C=CC(=CC1)I)(C)[H])(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917653