SpectraBase Compound ID | 4VHFcRB8ZzX |
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InChI | InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2 |
InChIKey | YQMXOIAIYXXXEE-UHFFFAOYSA-N |
Mol Weight | 177.25 g/mol |
Molecular Formula | C11H15NO |
Exact Mass | 177.115364 g/mol |
SpectraBase Spectrum ID | CTIxXH2Rdzx |
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Name | (R)-1-Benzyl-3-pyrrolidinol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 177.115364106 u |
Formula | C11H15NO |
InChI | InChI=1S/C11H15NO/c13-11-6-7-12(9-11)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2 |
InChIKey | YQMXOIAIYXXXEE-UHFFFAOYSA-N |
Molecular Weight | 177.247 g/mol |
SMILES | OC1CCN(C1)CC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Raman) | 0.989316 |