SpectraBase Compound ID | BOQPqV4J44M |
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InChI | InChI=1S/C14H15NO/c15-13-7-4-8-14(11-13)16-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10,15H2 |
InChIKey | ATANNAJKSFDCGR-UHFFFAOYSA-N |
Mol Weight | 213.28 g/mol |
Molecular Formula | C14H15NO |
Exact Mass | 213.115364 g/mol |
SpectraBase Spectrum ID | 4tVNxuOy8JV |
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Name | 3-(2-Phenylethoxy)aniline |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 213.115364106 u |
Formula | C14H15NO |
InChI | InChI=1S/C14H15NO/c15-13-7-4-8-14(11-13)16-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10,15H2 |
InChIKey | ATANNAJKSFDCGR-UHFFFAOYSA-N |
Molecular Weight | 213.280 g/mol |
SMILES | C1(N)=CC(=CC=C1)OCCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905572 |