| SpectraBase Compound ID | AlCfDmFEPjk |
|---|---|
| InChI | InChI=1S/C9H12N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h7-9H,2-4H2,1H3 |
| InChIKey | VZDIRINETBAVAV-UHFFFAOYSA-N |
| Mol Weight | 180.21 g/mol |
| Molecular Formula | C9H12N2O2 |
| Exact Mass | 180.089878 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Jtizn36H3d7 |
|---|---|
| Name | 2,4-Diisocyanato-1-methyl-cyclohexane |
| CAS Registry Number | 10581-16-5 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12N2O2 |
| InChI | InChI=1S/C9H12N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h7-9H,2-4H2,1H3 |
| InChIKey | VZDIRINETBAVAV-UHFFFAOYSA-N |
| Molecular Weight | 180.207 g/mol |
| SMILES | CC1CCC(CC1N=C=O)N=C=O |
| SPLASH | splash10-054o-9100000000-f2e4d6e5ca193f32b2a7 |
| Source of Spectrum | BW-0-0-26 |
| Wiley ID | 507515 |