SpectraBase Compound ID | Gqrzdg3WP3K |
---|---|
InChI | InChI=1S/C5H9NO2/c1-4(7)6-5(2)8-3/h1-3H3/b6-5+ |
InChIKey | CXWBRDHRHGQVGY-AATRIKPKSA-N |
Mol Weight | 115.13 g/mol |
Molecular Formula | C5H9NO2 |
Exact Mass | 115.063329 g/mol |
SpectraBase Spectrum ID | AMTTWXf6DNL |
---|---|
Name | 1-Methoxyethanimine, N-acetyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 115.063328532 u |
Formula | C5H9NO2 |
InChI | InChI=1S/C5H9NO2/c1-4(7)6-5(2)8-3/h1-3H3/b6-5+ |
InChIKey | CXWBRDHRHGQVGY-AATRIKPKSA-N |
Molecular Weight | 115.132 g/mol |
SMILES | C(\N=C/(OC)C)(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902033 |