| SpectraBase Compound ID | Ch01gClaV0h |
|---|---|
| InChI | InChI=1S/C17H23IN2O4/c1-17(2,3)24-16(23)13(9-12-7-5-4-6-8-12)20-15(22)11-19-14(21)10-18/h4-8,13H,9-11H2,1-3H3,(H,19,21)(H,20,22) |
| InChIKey | DCAMIOWNFKPHKI-UHFFFAOYSA-N |
| Mol Weight | 446.29 g/mol |
| Molecular Formula | C17H23IN2O4 |
| Exact Mass | 446.070252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KacpblhhVhT |
|---|---|
| Name | N-(Iodoacetyl)-gly-phe-o-(T-bu) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 446.070252225 u |
| Formula | C17H23IN2O4 |
| InChI | InChI=1S/C17H23IN2O4/c1-17(2,3)24-16(23)13(9-12-7-5-4-6-8-12)20-15(22)11-19-14(21)10-18/h4-8,13H,9-11H2,1-3H3,(H,19,21)(H,20,22) |
| InChIKey | DCAMIOWNFKPHKI-UHFFFAOYSA-N |
| Molecular Weight | 446.285 g/mol |
| SMILES | C(C(NC(=O)CNC(=O)CI)CC1=CC=CC=C1)(OC(C)(C)C)=O |