| SpectraBase Compound ID | n6DHQbGut3 |
|---|---|
| InChI | InChI=1S/C5H7IN2O2/c6-3-8-2-1-4(9)7-5(8)10/h1-3H2,(H,7,9,10) |
| InChIKey | ITKPGOAXEWUBLI-UHFFFAOYSA-N |
| Mol Weight | 254.03 g/mol |
| Molecular Formula | C5H7IN2O2 |
| Exact Mass | 253.955222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B2XSbpkcLvu |
|---|---|
| Name | N1-Iodomethyl-5,6-dihydrouracil |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.955222471 u |
| Formula | C5H7IN2O2 |
| InChI | InChI=1S/C5H7IN2O2/c6-3-8-2-1-4(9)7-5(8)10/h1-3H2,(H,7,9,10) |
| InChIKey | ITKPGOAXEWUBLI-UHFFFAOYSA-N |
| Molecular Weight | 254.027 g/mol |
| SMILES | C1(N(CCC(N1)=O)CI)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978309 |