SpectraBase Compound ID | AVxD4RAWUC5 |
---|---|
InChI | InChI=1S/C14H15NO/c1-10-3-6-14(9-11(10)2)16-13-7-4-12(15)5-8-13/h3-9H,15H2,1-2H3 |
InChIKey | UZSYASHQOZQTII-UHFFFAOYSA-N |
Mol Weight | 213.28 g/mol |
Molecular Formula | C14H15NO |
Exact Mass | 213.115364 g/mol |
SpectraBase Spectrum ID | LwuMKxsKqL0 |
---|---|
Name | 4-(3,4-Dimethylphenoxy)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/c1-10-3-6-14(9-11(10)2)16-13-7-4-12(15)5-8-13/h3-9H,15H2,1-2H3 |
InChIKey | UZSYASHQOZQTII-UHFFFAOYSA-N |
Molecular Weight | 213.280 g/mol |
SMILES | C1(N)=CC=C(C=C1)OC1=CC(=C(C=C1)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854835 |