| SpectraBase Compound ID | 35d2LkA18D9 |
|---|---|
| InChI | InChI=1S/C17H20INO/c18-15-3-1-2-14(7-15)16(20)19-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,19,20)/t11-,12+,13-,17- |
| InChIKey | ZLKQSNLZQSLEIA-FBBPANFNSA-N |
| Mol Weight | 381.26 g/mol |
| Molecular Formula | C17H20INO |
| Exact Mass | 381.058959 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CJ8dqv3Gn9O |
|---|---|
| Name | N-Adamantan-1-yl-3-iodo-benzamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.058959267 u |
| Formula | C17H20INO |
| InChI | InChI=1S/C17H20INO/c18-15-3-1-2-14(7-15)16(20)19-17-8-11-4-12(9-17)6-13(5-11)10-17/h1-3,7,11-13H,4-6,8-10H2,(H,19,20)/t11-,12+,13-,17- |
| InChIKey | ZLKQSNLZQSLEIA-FBBPANFNSA-N |
| Molecular Weight | 381.257 g/mol |
| SMILES | C12(NC(C3=CC(=CC=C3)I)=O)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915081 |