| SpectraBase Compound ID | CiJpbZMoXOC |
|---|---|
| InChI | InChI=1S/C9H11I/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1 |
| InChIKey | HIDYPDZZGNFUSP-MRVPVSSYSA-N |
| Mol Weight | 246.09 g/mol |
| Molecular Formula | C9H11I |
| Exact Mass | 245.990545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L1j2QcFZy2B |
|---|---|
| Name | (S)-(2'-Iodo-1'-methylethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.990545354 u |
| Formula | C9H11I |
| InChI | InChI=1S/C9H11I/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/t8-/m1/s1 |
| InChIKey | HIDYPDZZGNFUSP-MRVPVSSYSA-N |
| Molecular Weight | 246.091 g/mol |
| SMILES | C1([C@@](CI)(C)[H])=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95836 |