| SpectraBase Compound ID | HBasljhRGrM |
|---|---|
| InChI | InChI=1S/C7H11NO4/c1-6(8(10)11)4-3-5-7(9)12-2/h4H,3,5H2,1-2H3/b6-4+ |
| InChIKey | KVTKHMNVNIJEFE-GQCTYLIASA-N |
| Mol Weight | 173.17 g/mol |
| Molecular Formula | C7H11NO4 |
| Exact Mass | 173.068808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FguMQQmwDMG |
|---|---|
| Name | Methyl 5-nitro-4-hexenoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.068807834 u |
| Formula | C7H11NO4 |
| InChI | InChI=1S/C7H11NO4/c1-6(8(10)11)4-3-5-7(9)12-2/h4H,3,5H2,1-2H3/b6-4+ |
| InChIKey | KVTKHMNVNIJEFE-GQCTYLIASA-N |
| Molecular Weight | 173.168 g/mol |
| SMILES | C(\C=C/(N(=O)=O)C)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958972 |