| SpectraBase Compound ID | GwCl1nn8X5E |
|---|---|
| InChI | InChI=1S/C12H15NO/c1-9-5-6-11(8-10(9)2)13-7-3-4-12(13)14/h5-6,8H,3-4,7H2,1-2H3 |
| InChIKey | GSLPUNOKUQQOMP-UHFFFAOYSA-N |
| Mol Weight | 189.26 g/mol |
| Molecular Formula | C12H15NO |
| Exact Mass | 189.115364 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ClNVywWeJtB |
|---|---|
| Name | 1-(3,4-Xylyl)-2-pyrrolidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.115364106 u |
| Formula | C12H15NO |
| InChI | InChI=1S/C12H15NO/c1-9-5-6-11(8-10(9)2)13-7-3-4-12(13)14/h5-6,8H,3-4,7H2,1-2H3 |
| InChIKey | GSLPUNOKUQQOMP-UHFFFAOYSA-N |
| SMILES | CC1=C(C=CC(=C1)N1CCCC1=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.979953 |