| SpectraBase Compound ID | Jsnm2yV80vq |
|---|---|
| InChI | InChI=1S/C9H13NO3/c10-7-3-1-6(2-4-7)9(13)8(12)5-11/h1-4,8-9,11-13H,5,10H2 |
| InChIKey | KKWRDXHQCFVSDH-UHFFFAOYSA-N |
| Mol Weight | 183.21 g/mol |
| Molecular Formula | C9H13NO3 |
| Exact Mass | 183.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D8tupiwOE23 |
|---|---|
| Name | Propane-1,2,3-triol, 1-(4-aminophenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.089543280 u |
| Formula | C9H13NO3 |
| InChI | InChI=1S/C9H13NO3/c10-7-3-1-6(2-4-7)9(13)8(12)5-11/h1-4,8-9,11-13H,5,10H2 |
| InChIKey | KKWRDXHQCFVSDH-UHFFFAOYSA-N |
| Molecular Weight | 183.207 g/mol |
| SMILES | C(C1=CC=C(C=C1)N)(C(O)CO)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885435 |