| SpectraBase Compound ID | F3coMMECwWo |
|---|---|
| InChI | InChI=1S/C7H14N2/c1-6(2)9-7(3)4-5-8-9/h5-7H,4H2,1-3H3 |
| InChIKey | DUOUFHCFRWDSBE-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C7H14N2 |
| Exact Mass | 126.115698 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L45gAWGI41d |
|---|---|
| Name | 2-Pyrazoline, 1-isopropyl-5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.115698459 u |
| Formula | C7H14N2 |
| InChI | InChI=1S/C7H14N2/c1-6(2)9-7(3)4-5-8-9/h5-7H,4H2,1-3H3 |
| InChIKey | DUOUFHCFRWDSBE-UHFFFAOYSA-N |
| Molecular Weight | 126.203 g/mol |
| SMILES | CC(C)N1C(C)CC=N1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915591 |