| SpectraBase Compound ID | 1gxNvas3NFl |
|---|---|
| InChI | InChI=1S/C9H17NO4/c1-4-14-8(11)6-5-7-9(2,3)10(12)13/h4-7H2,1-3H3 |
| InChIKey | UGWOIOMHCICOFW-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C9H17NO4 |
| Exact Mass | 203.115758 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6OvohXITV06 |
|---|---|
| Name | Ethyl 5-methyl-5-nitrohexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.115758027 u |
| Formula | C9H17NO4 |
| InChI | InChI=1S/C9H17NO4/c1-4-14-8(11)6-5-7-9(2,3)10(12)13/h4-7H2,1-3H3 |
| InChIKey | UGWOIOMHCICOFW-UHFFFAOYSA-N |
| Molecular Weight | 203.238 g/mol |
| SMILES | C(N(=O)=O)(CCCC(=O)OCC)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972878 |