![8-Amino-11-chloro[5]metacyclophane](/api/spectrum/B4tDzEPu2u7/structure.png?h=300&w=458 "8-Amino-11-chloro[5]metacyclophane")
| SpectraBase Compound ID | 9egpRABUmT4 |
|---|---|
| InChI | InChI=1S/C11H14ClN/c12-11-8-4-2-1-3-5-9(11)7-10(13)6-8/h6-7H,1-5,13H2 |
| InChIKey | CTQKRKBIMVYZOJ-UHFFFAOYSA-N |
| Mol Weight | 195.69 g/mol |
| Molecular Formula | C11H14ClN |
| Exact Mass | 195.081477 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B4tDzEPu2u7 |
|---|---|
| Name | 8-Amino-11-chloro-[5]-metacyclophane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.081477155 u |
| Formula | C11H14ClN |
| InChI | InChI=1S/C11H14ClN/c12-11-8-4-2-1-3-5-9(11)7-10(13)6-8/h6-7H,1-5,13H2 |
| InChIKey | CTQKRKBIMVYZOJ-UHFFFAOYSA-N |
| Molecular Weight | 195.693 g/mol |
| SMILES | C=1(N)C=C2CCCCCC(C1)=C2Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920961 |