| SpectraBase Compound ID | 5EPWmWNyMOF |
|---|---|
| InChI | InChI=1S/C12H13NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h4-7H,1-3H3 |
| InChIKey | HCHLTWGUUUDWFP-UHFFFAOYSA-N |
| Mol Weight | 219.24 g/mol |
| Molecular Formula | C12H13NO3 |
| Exact Mass | 219.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9IsenLvBzuj |
|---|---|
| Name | Doryphornine methyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.089543280 u |
| Formula | C12H13NO3 |
| InChI | InChI=1S/C12H13NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h4-7H,1-3H3 |
| InChIKey | HCHLTWGUUUDWFP-UHFFFAOYSA-N |
| Molecular Weight | 219.240 g/mol |
| SMILES | C1(N(C=CC2=C1C=C(C(=C2)OC)OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916816 |