| SpectraBase Spectrum ID |
5v5LbHQV1ha |
| Name |
10-Formamido-10,11-dihydro-2,3-dimethoxydibenz(B,F)oxepin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.115758027 u |
| Formula |
C17H17NO4 |
| InChI |
InChI=1S/C17H17NO4/c1-20-16-8-11-7-13(18-10-19)12-5-3-4-6-14(12)22-15(11)9-17(16)21-2/h3-6,8-10,13H,7H2,1-2H3,(H,18,19) |
| InChIKey |
LQXNWQATXOJACV-UHFFFAOYSA-N |
| SMILES |
C12=C(OC3=C(CC2NC=O)C=C(C(=C3)OC)OC)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921783 |
