SpectraBase Compound ID | 29Q2kxkqlgn |
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InChI | InChI=1S/C14H15NO/c1-16-14-9-5-6-12(10-14)11-15-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3 |
InChIKey | WGJLFGPPEXLLNQ-UHFFFAOYSA-N |
Mol Weight | 213.28 g/mol |
Molecular Formula | C14H15NO |
Exact Mass | 213.115364 g/mol |
SpectraBase Spectrum ID | rnrVSTQN8l |
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Name | N-(3-Methoxybenzyl)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/c1-16-14-9-5-6-12(10-14)11-15-13-7-3-2-4-8-13/h2-10,15H,11H2,1H3 |
InChIKey | WGJLFGPPEXLLNQ-UHFFFAOYSA-N |
Molecular Weight | 213.280 g/mol |
SMILES | C1(NCC=2C=C(C=CC2)OC)=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829239 |