![4-[(Dimethylamino)methyl]-2,5-xylenol](/api/spectrum/KxH4F55thX4/structure.png?h=300&w=458 "4-[(Dimethylamino)methyl]-2,5-xylenol")
| SpectraBase Compound ID | 63rbY8TF0Mu |
|---|---|
| InChI | InChI=1S/C11H17NO/c1-8-6-11(13)9(2)5-10(8)7-12(3)4/h5-6,13H,7H2,1-4H3 |
| InChIKey | UXJAGSSVZDVPFB-UHFFFAOYSA-N |
| Mol Weight | 179.26 g/mol |
| Molecular Formula | C11H17NO |
| Exact Mass | 179.131014 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KxH4F55thX4 |
|---|---|
| Name | 4-[(Dimethylamino)methyl]-2,5-xylenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.131014170 u |
| Formula | C11H17NO |
| InChI | InChI=1S/C11H17NO/c1-8-6-11(13)9(2)5-10(8)7-12(3)4/h5-6,13H,7H2,1-4H3 |
| InChIKey | UXJAGSSVZDVPFB-UHFFFAOYSA-N |
| Molecular Weight | 179.263 g/mol |
| SMILES | OC1=CC(=C(C=C1C)CN(C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.714385 |