| SpectraBase Compound ID | J9C2eHkkE7G |
|---|---|
| InChI | InChI=1S/C8H19N3O/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9-11H,1-8H2 |
| InChIKey | NLINGGCQUVARNS-UHFFFAOYSA-N |
| Mol Weight | 173.26 g/mol |
| Molecular Formula | C8H19N3O |
| Exact Mass | 173.152812 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3iFLIUL7XsH |
|---|---|
| Name | 1-oxa-4,7,10-Triazacyclododecane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.152812243 u |
| Formula | C8H19N3O |
| InChI | InChI=1S/C8H19N3O/c1-3-10-5-7-12-8-6-11-4-2-9-1/h9-11H,1-8H2 |
| InChIKey | NLINGGCQUVARNS-UHFFFAOYSA-N |
| Molecular Weight | 173.260 g/mol |
| SMILES | C1NCCNCCOCCNC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986177 |