SpectraBase Spectrum ID |
DSLgLEpT2Nm |
Name |
(S)-(-)-2-(4'-iodophenyl)propanoic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |