| SpectraBase Compound ID | GCBSQP2PRE7 |
|---|---|
| InChI | InChI=1S/C9H20N2O2/c1-3-4-5-6-7-8-9-10(2)11(12)13/h3-9H2,1-2H3 |
| InChIKey | SHFPYIMIOLCMLS-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C9H20N2O2 |
| Exact Mass | 188.152478 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | C7iPOc9P57z |
|---|---|
| Name | 1-Octanamine, N-methyl-N-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.152477890 u |
| Formula | C9H20N2O2 |
| InChI | InChI=1S/C9H20N2O2/c1-3-4-5-6-7-8-9-10(2)11(12)13/h3-9H2,1-2H3 |
| InChIKey | SHFPYIMIOLCMLS-UHFFFAOYSA-N |
| Molecular Weight | 188.271 g/mol |
| SMILES | C(N(N(=O)=O)C)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864229 |