| SpectraBase Compound ID | 3fdjk4hCq9A |
|---|---|
| InChI | InChI=1S/C10H5IO3/c11-7-8(12)5-3-1-2-4-6(5)9(13)10(7)14/h1-4,12H |
| InChIKey | KDAAEHKHRCUSIF-UHFFFAOYSA-N |
| Mol Weight | 300.05 g/mol |
| Molecular Formula | C10H5IO3 |
| Exact Mass | 299.928339 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3nB5zyHXByM |
|---|---|
| Name | 3-Iodanyl-4-oxidanyl-naphthalene-1,2-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.928339018 u |
| Formula | C10H5IO3 |
| InChI | InChI=1S/C10H5IO3/c11-7-8(12)5-3-1-2-4-6(5)9(13)10(7)14/h1-4,12H |
| InChIKey | KDAAEHKHRCUSIF-UHFFFAOYSA-N |
| Molecular Weight | 300.051 g/mol |
| SMILES | C1(C(C(=C(C=2C=CC=CC12)O)I)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898045 |