| SpectraBase Compound ID | EKeE3pM49CN |
|---|---|
| InChI | InChI=1S/C6H12N2O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2 |
| InChIKey | YXBHCFHBPVLHEZ-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C6H12N2O4 |
| Exact Mass | 176.079707 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IghRk9J1Er |
|---|---|
| Name | Hexane, 1,6-dinitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.079706870 u |
| Formula | C6H12N2O4 |
| InChI | InChI=1S/C6H12N2O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2 |
| InChIKey | YXBHCFHBPVLHEZ-UHFFFAOYSA-N |
| Molecular Weight | 176.172 g/mol |
| SMILES | C(CCN(=O)=O)CCCN(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.81833 |