| SpectraBase Compound ID | Idj1ZdqXDZG |
|---|---|
| InChI | InChI=1S/C15H13IO2S/c1-19-14-8-3-2-7-13(14)15(17)18-10-11-5-4-6-12(16)9-11/h2-9H,10H2,1H3 |
| InChIKey | YPNHDJSSNSEBNA-UHFFFAOYSA-N |
| Mol Weight | 384.23 g/mol |
| Molecular Formula | C15H13IO2S |
| Exact Mass | 383.968096 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JeM31Fx9QP5 |
|---|---|
| Name | 2-(Methylthio)benzoic acid, 3-iodobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.968095831 u |
| Formula | C15H13IO2S |
| InChI | InChI=1S/C15H13IO2S/c1-19-14-8-3-2-7-13(14)15(17)18-10-11-5-4-6-12(16)9-11/h2-9H,10H2,1H3 |
| InChIKey | YPNHDJSSNSEBNA-UHFFFAOYSA-N |
| Molecular Weight | 384.231 g/mol |
| SMILES | C1(=CC=CC=C1C(=O)OCC=1C=C(C=CC1)I)SC |