| SpectraBase Compound ID | Iovu5Fxh9Ev |
|---|---|
| InChI | InChI=1S/C17H14N2O2/c1-11-13-7-4-5-9-15(13)16(20)18-10-12-6-2-3-8-14(12)17(21)19(11)18/h2-9,11H,10H2,1H3 |
| InChIKey | RADANUALIABVOV-UHFFFAOYSA-N |
| Mol Weight | 278.31 g/mol |
| Molecular Formula | C17H14N2O2 |
| Exact Mass | 278.105528 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DlDSFd7KDWR |
|---|---|
| Name | 7-Methyldiftalone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.105527697 u |
| Formula | C17H14N2O2 |
| InChI | InChI=1S/C17H14N2O2/c1-11-13-7-4-5-9-15(13)16(20)18-10-12-6-2-3-8-14(12)17(21)19(11)18/h2-9,11H,10H2,1H3 |
| InChIKey | RADANUALIABVOV-UHFFFAOYSA-N |
| SMILES | C12=C(C=CC=C2)C(N2N(C1C)C(C=1C(C2)=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909501 |