| SpectraBase Compound ID | 4wDMBA1whUc |
|---|---|
| InChI | InChI=1S/C9H13NO2/c1-12-8-3-2-7(4-5-10)9(11)6-8/h2-3,6,11H,4-5,10H2,1H3 |
| InChIKey | XLRWLZCBLMAETF-UHFFFAOYSA-N |
| Mol Weight | 167.21 g/mol |
| Molecular Formula | C9H13NO2 |
| Exact Mass | 167.094629 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BGuwKayBRjy |
|---|---|
| Name | Phenol, 2-(2-aminoethyl)-5-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.094628661 u |
| Formula | C9H13NO2 |
| InChI | InChI=1S/C9H13NO2/c1-12-8-3-2-7(4-5-10)9(11)6-8/h2-3,6,11H,4-5,10H2,1H3 |
| InChIKey | XLRWLZCBLMAETF-UHFFFAOYSA-N |
| Molecular Weight | 167.208 g/mol |
| SMILES | C(CC1=C(O)C=C(C=C1)OC)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931144 |