| SpectraBase Compound ID | F0gAnOLjVRu |
|---|---|
| InChI | InChI=1S/C9H20N2O/c1-3-4-5-6-7-8-9-11(2)10-12/h3-9H2,1-2H3 |
| InChIKey | CCSLOEMFOMJAFM-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C9H20N2O |
| Exact Mass | 172.157563 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J40LHkuOjkd |
|---|---|
| Name | 1-Octanamine, N-methyl-N-nitroso- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.157563271 u |
| Formula | C9H20N2O |
| InChI | InChI=1S/C9H20N2O/c1-3-4-5-6-7-8-9-11(2)10-12/h3-9H2,1-2H3 |
| InChIKey | CCSLOEMFOMJAFM-UHFFFAOYSA-N |
| Molecular Weight | 172.272 g/mol |
| SMILES | CN(CCCCCCCC)N=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92103 |