| SpectraBase Compound ID | CkZilVWmpMi |
|---|---|
| InChI | InChI=1S/C16H15IO3/c17-14-9-16-15(19-11-20-16)8-13(14)6-7-18-10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2 |
| InChIKey | VZCXKPNOJUQOCQ-UHFFFAOYSA-N |
| Mol Weight | 382.2 g/mol |
| Molecular Formula | C16H15IO3 |
| Exact Mass | 382.006589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7LEV7uYlL4 |
|---|---|
| Name | 2-(2-Iodo-4,5-(methylenedioxy)phenyl)ethyl benzyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.006589340 u |
| Formula | C16H15IO3 |
| InChI | InChI=1S/C16H15IO3/c17-14-9-16-15(19-11-20-16)8-13(14)6-7-18-10-12-4-2-1-3-5-12/h1-5,8-9H,6-7,10-11H2 |
| InChIKey | VZCXKPNOJUQOCQ-UHFFFAOYSA-N |
| Molecular Weight | 382.197 g/mol |
| SMILES | C=1C2=C(OCO2)C=C(C1I)CCOCC=1C=CC=CC1 |