| SpectraBase Compound ID | HoIoEjKd6jb |
|---|---|
| InChI | InChI=1S/C6H11NO3/c1-6(2,7-9)4-5(8)10-3/h4H2,1-3H3 |
| InChIKey | LQQRIFSFLSDMIW-UHFFFAOYSA-N |
| Mol Weight | 145.16 g/mol |
| Molecular Formula | C6H11NO3 |
| Exact Mass | 145.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GCG5fBAfAr9 |
|---|---|
| Name | Butanoic acid, 3-methyl-3-nitroso-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.073893215 u |
| Formula | C6H11NO3 |
| InChI | InChI=1S/C6H11NO3/c1-6(2,7-9)4-5(8)10-3/h4H2,1-3H3 |
| InChIKey | LQQRIFSFLSDMIW-UHFFFAOYSA-N |
| SMILES | CC(C)(CC(=O)OC)N=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962912 |