| SpectraBase Compound ID | 6h1wVdTKzd3 |
|---|---|
| InChI | InChI=1S/C11H13N5O4/c1-7-9(18)13-11(20)16(14-7)5-2-4-15-6-3-8(17)12-10(15)19/h3,6H,2,4-5H2,1H3,(H,12,17,19)(H,13,18,20) |
| InChIKey | NYVZIPJADMCZJI-UHFFFAOYSA-N |
| Mol Weight | 279.26 g/mol |
| Molecular Formula | C11H13N5O4 |
| Exact Mass | 279.096754 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5BG4ZrIRQRQ |
|---|---|
| Name | 1-(3-(Uracil-1-yl)propyl)-6-azathymine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.096753915 u |
| Formula | C11H13N5O4 |
| InChI | InChI=1S/C11H13N5O4/c1-7-9(18)13-11(20)16(14-7)5-2-4-15-6-3-8(17)12-10(15)19/h3,6H,2,4-5H2,1H3,(H,12,17,19)(H,13,18,20) |
| InChIKey | NYVZIPJADMCZJI-UHFFFAOYSA-N |
| Molecular Weight | 279.256 g/mol |
| SMILES | C1(NC(C=CN1CCCN1C(NC(C(=N1)C)=O)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982588 |