SpectraBase Compound ID | 50eaUJhsQOC |
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InChI | InChI=1S/C9H15NO2/c1-2-8(11)5-3-7-4-6-9(12)10-7/h7H,2-6H2,1H3,(H,10,12) |
InChIKey | KEYRVOAEJOQQFK-UHFFFAOYSA-N |
Mol Weight | 169.22 g/mol |
Molecular Formula | C9H15NO2 |
Exact Mass | 169.110279 g/mol |
SpectraBase Spectrum ID | GkM44W376kz |
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Name | Pyrrolidin-2-one, 5-[2-propionylethyl]- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 169.110278725 u |
Formula | C9H15NO2 |
InChI | InChI=1S/C9H15NO2/c1-2-8(11)5-3-7-4-6-9(12)10-7/h7H,2-6H2,1H3,(H,10,12) |
InChIKey | KEYRVOAEJOQQFK-UHFFFAOYSA-N |
Molecular Weight | 169.224 g/mol |
SMILES | C1(NC(=O)CC1)CCC(CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985364 |