| SpectraBase Compound ID | 56luLpGPVub |
|---|---|
| InChI | InChI=1S/C15H15IO2/c1-11(17)13-8-5-9-14(15(13)16)18-10-12-6-3-2-4-7-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1 |
| InChIKey | ZMDVUNBKCUPQSB-NSHDSACASA-N |
| Mol Weight | 354.19 g/mol |
| Molecular Formula | C15H15IO2 |
| Exact Mass | 354.011675 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHssEZZnLYh |
|---|---|
| Name | (1S)-1-(2-Iodanyl-3-phenylmethoxy-phenyl)ethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.011674721 u |
| Formula | C15H15IO2 |
| InChI | InChI=1S/C15H15IO2/c1-11(17)13-8-5-9-14(15(13)16)18-10-12-6-3-2-4-7-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1 |
| InChIKey | ZMDVUNBKCUPQSB-NSHDSACASA-N |
| Molecular Weight | 354.187 g/mol |
| SMILES | C=1(C(=C(OCC2=CC=CC=C2)C=CC1)I)[C@@](O)(C)[H] |