| SpectraBase Compound ID | JUhTsEizmWj |
|---|---|
| InChI | InChI=1S/C14H16O6/c1-9(15)18-8-14(20-11(3)17)12-5-4-6-13(7-12)19-10(2)16/h4-7,14H,8H2,1-3H3 |
| InChIKey | XOOUKMRDEVTSJH-UHFFFAOYSA-N |
| Mol Weight | 280.28 g/mol |
| Molecular Formula | C14H16O6 |
| Exact Mass | 280.094688 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1DVRiMdEUVi |
|---|---|
| Name | Norfenefrine-m (deamino-ho-) 3ac P780 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.094688229 u |
| Formula | C14H16O6 |
| InChI | InChI=1S/C14H16O6/c1-9(15)18-8-14(20-11(3)17)12-5-4-6-13(7-12)19-10(2)16/h4-7,14H,8H2,1-3H3 |
| InChIKey | XOOUKMRDEVTSJH-UHFFFAOYSA-N |
| SMILES | C=1C(=CC(OC(=O)C)=CC1)C(COC(=O)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957339 |