![2,3,6-Trimethoxydibenz[B,F]oxepine](/api/spectrum/Ke9txg2A3FG/structure.png?h=300&w=458 "2,3,6-Trimethoxydibenz[B,F]oxepine")
| SpectraBase Compound ID | DCwsfpsnjs6 |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-18-13-6-4-5-11-7-8-12-9-15(19-2)16(20-3)10-14(12)21-17(11)13/h4-10H,1-3H3 |
| InChIKey | MRWMBLPLDPGYND-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ke9txg2A3FG |
|---|---|
| Name | 2,3,6-Trimethoxydibenz[B,F]oxepine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c1-18-13-6-4-5-11-7-8-12-9-15(19-2)16(20-3)10-14(12)21-17(11)13/h4-10H,1-3H3 |
| InChIKey | MRWMBLPLDPGYND-UHFFFAOYSA-N |
| SMILES | C1=2OC=3C(C=CC1=CC(=C(C2)OC)OC)=CC=CC3OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939311 |