| SpectraBase Compound ID | 51oOICMFn22 |
|---|---|
| InChI | InChI=1S/C11H14INO2/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14) |
| InChIKey | KVVPUCWDNQTALZ-UHFFFAOYSA-N |
| Mol Weight | 319.14 g/mol |
| Molecular Formula | C11H14INO2 |
| Exact Mass | 319.006924 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gmp9En764tr |
|---|---|
| Name | N-(3-Iodopropyl)carbamic acid, benzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.006923693 u |
| Formula | C11H14INO2 |
| InChI | InChI=1S/C11H14INO2/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,13,14) |
| InChIKey | KVVPUCWDNQTALZ-UHFFFAOYSA-N |
| Molecular Weight | 319.142 g/mol |
| SMILES | C(CNC(OCC1=CC=CC=C1)=O)CI |