| SpectraBase Compound ID | D5NQnRcaawV |
|---|---|
| InChI | InChI=1S/C6H9NO5/c1-7(10)4(5(8)11-2)6(9)12-3/h1-3H3 |
| InChIKey | JFROQVXSMFEIBD-UHFFFAOYSA-N |
| Mol Weight | 175.14 g/mol |
| Molecular Formula | C6H9NO5 |
| Exact Mass | 175.048072 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H8XJkRoLvkQ |
|---|---|
| Name | Methyl bis(methoxycarbonyl)methylenamine, N-oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.048072389 u |
| Formula | C6H9NO5 |
| InChI | InChI=1S/C6H9NO5/c1-7(10)4(5(8)11-2)6(9)12-3/h1-3H3 |
| InChIKey | JFROQVXSMFEIBD-UHFFFAOYSA-N |
| Molecular Weight | 175.140 g/mol |
| SMILES | C(OC)(C(C(=O)OC)=N(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983408 |