SpectraBase Compound ID | ElFEFLz8uyb |
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InChI | InChI=1S/C11H15NO/c1-3-11(13)12-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,12,13) |
InChIKey | NXEHUVBLMTVJGJ-UHFFFAOYSA-N |
Mol Weight | 177.25 g/mol |
Molecular Formula | C11H15NO |
Exact Mass | 177.115364 g/mol |
SpectraBase Spectrum ID | 1OuCjMAJ3A |
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Name | 4-Methylbenzylamine prop |
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/c1-3-11(13)12-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,12,13) |
InChIKey | NXEHUVBLMTVJGJ-UHFFFAOYSA-N |
Molecular Weight | 177.247 g/mol |
SMILES | C=1(CNC(CC)=O)C=CC(=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862717 |