| SpectraBase Compound ID | HuAut9D2Mn7 |
|---|---|
| InChI | InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3 |
| InChIKey | JWJCTZKFYGDABJ-UHFFFAOYSA-N |
| Mol Weight | 197.23 g/mol |
| Molecular Formula | C10H15NO3 |
| Exact Mass | 197.105193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | C6piwTYo2xR |
|---|---|
| Name | Metanephrine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.105193344 u |
| Formula | C10H15NO3 |
| InChI | InChI=1S/C10H15NO3/c1-11-6-9(13)7-3-4-8(12)10(5-7)14-2/h3-5,9,11-13H,6H2,1-2H3 |
| InChIKey | JWJCTZKFYGDABJ-UHFFFAOYSA-N |
| Molecular Weight | 197.234 g/mol |
| SMILES | OC(C1=CC(=C(C=C1)O)OC)CNC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977392 |