SpectraBase Compound ID | 3jR8Zyd2clE |
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InChI | InChI=1S/C8H15NO3/c1-6(10)9-8(2,3)5-7(11)12-4/h5H2,1-4H3,(H,9,10) |
InChIKey | NTSLZWYSYVWAPV-UHFFFAOYSA-N |
Mol Weight | 173.21 g/mol |
Molecular Formula | C8H15NO3 |
Exact Mass | 173.105193 g/mol |
SpectraBase Spectrum ID | BQncPqkuVIs |
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Name | N-Acetyl-1,1-dimethyl-2-carbomethoxyethylamine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 173.105193344 u |
Formula | C8H15NO3 |
InChI | InChI=1S/C8H15NO3/c1-6(10)9-8(2,3)5-7(11)12-4/h5H2,1-4H3,(H,9,10) |
InChIKey | NTSLZWYSYVWAPV-UHFFFAOYSA-N |
Molecular Weight | 173.212 g/mol |
SMILES | COC(CC(C)(NC(C)=O)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968926 |