| SpectraBase Compound ID | KSz78S3m6aG |
|---|---|
| InChI | InChI=1S/C10H11IO3/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h4-6H,3H2,1-2H3 |
| InChIKey | FEGSOVAHUXXCGP-UHFFFAOYSA-N |
| Mol Weight | 306.1 g/mol |
| Molecular Formula | C10H11IO3 |
| Exact Mass | 305.975289 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 | B6iBEEv0w1P |
|---|---|
| Name | 2C-I-m (Deamino-oxo) P941 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.975289211 u |
| Formula | C10H11IO3 |
| InChI | InChI=1S/C10H11IO3/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h4-6H,3H2,1-2H3 |
| InChIKey | FEGSOVAHUXXCGP-UHFFFAOYSA-N |
| Molecular Weight | 306.099 g/mol |
| SMILES | C=1(C=C(CC=O)C(=CC1I)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88633 |