SpectraBase Compound ID | 9fYMTMaipOD |
---|---|
InChI | InChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3 |
InChIKey | BNXZHVUCNYMNOS-UHFFFAOYSA-N |
Mol Weight | 141.21 g/mol |
Molecular Formula | C8H15NO |
Exact Mass | 141.115364 g/mol |
SpectraBase Spectrum ID | FxSrrqIGSlZ |
---|---|
Name | 1-Butyl-2-pyrrolidinone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 141.115364106 u |
Formula | C8H15NO |
InChI | InChI=1S/C8H15NO/c1-2-3-6-9-7-4-5-8(9)10/h2-7H2,1H3 |
InChIKey | BNXZHVUCNYMNOS-UHFFFAOYSA-N |
Molecular Weight | 141.214 g/mol |
SMILES | CCCCN1C(CCC1)=O |
Spectrum/Structure Validation Score (Raman) | 0.780936 |