| SpectraBase Compound ID | Ctxeo77DLbc |
|---|---|
| InChI | InChI=1S/C9H16N2/c1-3-4-5-9-8(2)6-10-7-11-9/h6-7,9H,3-5H2,1-2H3,(H,10,11) |
| InChIKey | KFEZQPSCENHKSG-UHFFFAOYSA-N |
| Mol Weight | 152.24 g/mol |
| Molecular Formula | C9H16N2 |
| Exact Mass | 152.131349 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ax2fHAqPp2 |
|---|---|
| Name | Pyrimidine, 4-butyl-3,4-dihydro-5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.131348523 u |
| Formula | C9H16N2 |
| InChI | InChI=1S/C9H16N2/c1-3-4-5-9-8(2)6-10-7-11-9/h6-7,9H,3-5H2,1-2H3,(H,10,11) |
| InChIKey | KFEZQPSCENHKSG-UHFFFAOYSA-N |
| Molecular Weight | 152.241 g/mol |
| SMILES | C1(NC=NC=C1C)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.810312 |