| SpectraBase Compound ID | 6EuYyi1qTT9 |
|---|---|
| InChI | InChI=1S/C7H13NO3/c1-4-11-6(9)5-7(2,3)8-10/h4-5H2,1-3H3 |
| InChIKey | JMFVIPVMYWQPBP-UHFFFAOYSA-N |
| Mol Weight | 159.18 g/mol |
| Molecular Formula | C7H13NO3 |
| Exact Mass | 159.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Dsb378QYvvw |
|---|---|
| Name | Ethyl 3-methyl-3-nitrosobutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.089543280 u |
| Formula | C7H13NO3 |
| InChI | InChI=1S/C7H13NO3/c1-4-11-6(9)5-7(2,3)8-10/h4-5H2,1-3H3 |
| InChIKey | JMFVIPVMYWQPBP-UHFFFAOYSA-N |
| Molecular Weight | 159.185 g/mol |
| SMILES | C(C(=O)OCC)C(N=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977717 |