| SpectraBase Compound ID | 1bv97evx69c |
|---|---|
| InChI | InChI=1S/C12H14N2O/c1-12(2,3)14-11(15)10-7-5-4-6-9(10)8-13-14/h4-8H,1-3H3 |
| InChIKey | YEOCCXFWJOYEMB-UHFFFAOYSA-N |
| Mol Weight | 202.26 g/mol |
| Molecular Formula | C12H14N2O |
| Exact Mass | 202.110613 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | vpSbqkjd7k |
|---|---|
| Name | 2-(Tert-butyl)-1(2H)-phthalazinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.110613078 u |
| Formula | C12H14N2O |
| InChI | InChI=1S/C12H14N2O/c1-12(2,3)14-11(15)10-7-5-4-6-9(10)8-13-14/h4-8H,1-3H3 |
| InChIKey | YEOCCXFWJOYEMB-UHFFFAOYSA-N |
| Molecular Weight | 202.257 g/mol |
| SMILES | C1(N(N=CC=2C=CC=CC12)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.8397 |