SpectraBase Compound ID | 3jZbiznVP47 |
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InChI | InChI=1S/C9H15NO3/c1-4-13-8(12)9(2)5-6-10(3)7(9)11/h4-6H2,1-3H3 |
InChIKey | IKUAGUJQYKVILR-UHFFFAOYSA-N |
Mol Weight | 185.22 g/mol |
Molecular Formula | C9H15NO3 |
Exact Mass | 185.105193 g/mol |
SpectraBase Spectrum ID | 7o4zolNHlZ6 |
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Name | 1,3-Dimethyl-2-oxo-3-pyrrolidinecarboxylic acid, ethyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 185.105193344 u |
Formula | C9H15NO3 |
InChI | InChI=1S/C9H15NO3/c1-4-13-8(12)9(2)5-6-10(3)7(9)11/h4-6H2,1-3H3 |
InChIKey | IKUAGUJQYKVILR-UHFFFAOYSA-N |
Molecular Weight | 185.223 g/mol |
SMILES | C(OC(C1(CCN(C1=O)C)C)=O)C |
Spectrum/Structure Validation Score (Raman) | 0.844302 |