| SpectraBase Compound ID | 7gVkCjRPaG2 |
|---|---|
| InChI | InChI=1S/C8H11NO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,9H2,1-2H3 |
| InChIKey | UBKPLLYABUUFCE-UHFFFAOYSA-N |
| Mol Weight | 137.18 g/mol |
| Molecular Formula | C8H11NO |
| Exact Mass | 137.084064 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5EX75NR4rVw |
|---|---|
| Name | 4-Amino-2,3-xylenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.084063977 u |
| Formula | C8H11NO |
| InChI | InChI=1S/C8H11NO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,9H2,1-2H3 |
| InChIKey | UBKPLLYABUUFCE-UHFFFAOYSA-N |
| Molecular Weight | 137.182 g/mol |
| SMILES | C1=C(C(C)=C(C(=C1)N)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869704 |