SpectraBase Compound ID | JRMuZ8NKzyj |
---|---|
InChI | InChI=1S/C6H11NO/c1-5-3-4-7(8)6(5)2/h4-6H,3H2,1-2H3 |
InChIKey | ZTKGGYLANPYNAD-UHFFFAOYSA-N |
Mol Weight | 113.16 g/mol |
Molecular Formula | C6H11NO |
Exact Mass | 113.084064 g/mol |
SpectraBase Spectrum ID | EY628vd3omK |
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Name | 2.3-Dimethyl-1-pyrroline 1-oxide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 113.084063977 u |
Formula | C6H11NO |
InChI | InChI=1S/C6H11NO/c1-5-3-4-7(8)6(5)2/h4-6H,3H2,1-2H3 |
InChIKey | ZTKGGYLANPYNAD-UHFFFAOYSA-N |
Molecular Weight | 113.160 g/mol |
SMILES | CC1CC=N(C1C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814302 |