SpectraBase Compound ID | IsV8ELrmZNz |
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InChI | InChI=1S/C13H15NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-3,6-8,11H,4-5,9-10H2 |
InChIKey | WYSYREZQTVOTLS-UHFFFAOYSA-N |
Mol Weight | 201.27 g/mol |
Molecular Formula | C13H15NO |
Exact Mass | 201.115364 g/mol |
SpectraBase Spectrum ID | 98dev3hFEC2 |
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Name | 3-Pyrrolidinylacrylophenone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 201.115364106 u |
Formula | C13H15NO |
InChI | InChI=1S/C13H15NO/c15-13(12-6-2-1-3-7-12)8-11-14-9-4-5-10-14/h1-3,6-8,11H,4-5,9-10H2 |
InChIKey | WYSYREZQTVOTLS-UHFFFAOYSA-N |
Molecular Weight | 201.269 g/mol |
SMILES | C=1C=CC=CC1C(=O)C=CN1CCCC1 |
Spectrum/Structure Validation Score (Raman) | 0.930571 |